spinglass (and the like) simulations
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dipole field calculation/Debug/DF60.PDB
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dipole field calculation/Debug/dipole.exe
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dipole field calculation/Debug/dipole.pdb
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dipole field calculation/Debug/field_calculation.obj
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dipole field calculation/Debug/field_calculation.obj
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dipole field calculation/Release/Shortcut to dipole field calculation.exe.lnk
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dipole field calculation/Release/dipole field calculation.exe
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dipole field calculation/Release/dipole.exe
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dipole field calculation/Release/field_calculation.obj
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dipole field calculation/Release/field_calculation.obj
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dipole field calculation/Release/field_calculation_GaAs.obj
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dipole field calculation/Release/field_calculation_GaAs.obj
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dipole field calculation/dipole field calculation.dsp
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dipole field calculation/dipole field calculation.dsp
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dipole field calculation/dipole field calculation.plg
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<html>
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<body>
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<pre>
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<h1>Build Log</h1>
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<h3>
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--------------------Configuration: dipole field calculation - Win32 Release--------------------
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</h3>
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<h3>Command Lines</h3>
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Creating command line "link.exe kernel32.lib /nologo /subsystem:console /incremental:no /pdb:"Release/dipole.pdb" /machine:I386 /out:"Release/dipole.exe" ".\Release\field_calculation_GaAs.obj" "
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<h3>Output Window</h3>
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Linking...
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<h3>Results</h3>
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dipole.exe - 0 error(s), 0 warning(s)
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</pre>
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dynamics/Debug/DF60.PDB
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783
dynamics/dynamics.f90
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dynamics/dynamics.f90
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! dynamics.f90
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!
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!
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!****************************************************************************
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!
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! PROGRAM: dynamics
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!
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! PURPOSE: Simulation of the asymmetry of an artificial spinglass.
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! DYNAMICS assumes the spinglass to have an FCC lattice.
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! The dimensions of the lattice are w * w * d, along the
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! x-, y- and z-axis respectively. The magnetic moments
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! are randomly distributed over the latticepoints, the muons
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! are placed on the centers of the FCC-cube.
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! The directions of the magnetic moments is choosen randomly
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! over the whole sphere.
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! The program calculates the magnetic field at the site of
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! muon by adding all dilopar contributions from about 300
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! magnetic moments which nearest by the muonsite. Periodic
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! boundary conditions are applied in the x- and y-direction.
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! The z-direction is assumed to perpendicular to a thin
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! film surface.
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! The dynamics of the magnetic spins is included in one of
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! the following ways:
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! For fluctuationrates larger then 100 MHz,
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! a timestep tau is choosen from a
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! log distrubution ( tau = - ln(random) / fluctuationrate )
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! The muon then rotates for tau microseconds, after all spins
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! are rotated over an angle between - dtetha en dtheta and - dphi and dphi.
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! This process is repeated until the total time is 10 microsecods or more.
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! Output of the muon position is done about every time_resolution microsecond.
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! For fluctuationrates smaller then 100 MHz
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! the muons rotate 1000 times for time_resolution microsecond, after each rotation
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! a fraction (= fluctuationrate / 100) of the magnetic ions are rotated
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! over an angle between - dtetha en dtheta and - dphi and dphi.
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! After each fluctuation the fields at the muonsites are recalculated.
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! "deporization" functions are calculated for
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! left-right, up-down and forward-backward detectors,
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! being the x-, y- and z-components of the muon spin vector.
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! For arbitrary direction one has to take the scalar product of
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! that specific direction with the results produced by this program
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!
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! USE: The parameters used for the simulation are supposed to be on
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! file with the generic name <calculation>.inp.
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! The program can be started in two ways:
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!
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! typing DYNAMICS
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! the user will be prompted for the name of the calculation
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!
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! typing DYNAMICS <calculation>
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! the name of the calculation will be read from the commandline.
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!
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! Output will be written on <calculation>.out and on separate files
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! (for each set of parameters) named <calculation>_###.g_t, where
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! ### can a unique number according to the following rules:
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! If a file \simulations\counter.his can be opened, the program will
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! the number in this file and uses that as a start for numbering
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! the *.g_t files. The program will update \simulations\counter.his.
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! If that file is not present, the program will start at number 1.
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!
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! INPUT: For each simulation the following set of parameters has to be
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! given on one line in the file <calculation>.inp
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!
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! lattice parameter [nm]
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! magnetic moment [Bohr-magneton]
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! external field, three component [tesla]
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! thickness d [nm]
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! width w [nm]
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! concentration [at.%]
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! number of muons #
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! initial muon spin direction in
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! spherical coordinates, theta, phi [degree]
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! note that the z-axis is perpendicular to the film
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! muon stopping range, from d1 to d2 [nm]
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! d1 and d2 are note restricted by 0 and d, stopping outside
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! the actual sample is possible
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! fluctuationrate [ 1/ microsecond ]
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! fluctuation amplitude, in
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! spherical coordinates, d-theta, d-phi [degree]
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!
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! Lines with parameters can be interlaced with comments,
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! Commentlines should have a ! at position 1.
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!
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!
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!
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!****************************************************************************
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program dynamics
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Use DFPORT
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Use DFLIB
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implicit none
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! Variables
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integer*4,parameter::max_spins = 50000, & ! maximum number of magnetic moments
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& max_muons = 10000, & ! maximum number of muons
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& max_nn = 500, & ! maximum number of nearest neighbours
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& n_time_steps = 500 ! number of time steps calculated
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! Should be future variable
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! Should be future variable
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! Structure to store the position (as lattice site-indexes)
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! and the direction-cosines of each spin.
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structure /spin/
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integer*4 x,y,z
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real*8 theta,phi,dir(3)
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end structure
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structure /muon/
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integer*4 x,y,z, ns, s(max_nn)
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real*8 dir(3), r(3,max_nn), r_2(max_nn), r_5(max_nn), omega(3)
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end structure
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! Declarations, maximumnumber of spins: max_spins, maxd is the maximum number of
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! unitcell-distance for which the spin in included in the calculation
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|
||||
real*8, time_resolution=0.01 ! time resolution
|
||||
! (approximate time between points
|
||||
! on the *.g_t file)
|
||||
|
||||
|
||||
character*10 dddd, tttt, zone
|
||||
character*4 file_index
|
||||
integer*4 dt(8), ifile, l_calc, n_steps, i_step
|
||||
character*80 calculation
|
||||
character*127 line
|
||||
logical unique
|
||||
integer*4 i,j,k,l,nw,nd,nsp,n_spin, n_site
|
||||
integer*4 iseed, nd1, nd2
|
||||
record /spin/ s(max_spins)
|
||||
record /muon/ m(max_muons)
|
||||
real*8 dummy, a, d, concentration, w, depth1, depth2
|
||||
real*8 factor, moment, b_ext(3)
|
||||
real*8 fluctuationrate, tau, dphi, dtheta, fraction
|
||||
real*8 g_t(3), omega, b_abs, b_sq, ca_sq, his, radiussq
|
||||
real*8 t_ini, p_ini, emu(3), Pi
|
||||
real*8 step, exp_time, write_time, f_c
|
||||
|
||||
! Body of dynamics
|
||||
|
||||
! Read the parameters from the input file
|
||||
! with name : <calculation>.inp
|
||||
! The output will go to <calculation>.out
|
||||
! and <calculation>_###.g_t
|
||||
|
||||
Write(6,*) ' '
|
||||
Write(6,*) ' ---------------------------------------------------------------------'
|
||||
Write(6,*) ' | Program field-calculation of muons due to random dynamic spins |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | Version of November 16 2005 |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | Input is read from an input file that should be named |'
|
||||
Write(6,*) ' | <calculation>.inp and contains for each simulation on |'
|
||||
Write(6,*) ' | one line: |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | lattice-constant [nm], magnetic moment [mu_B], |'
|
||||
Write(6,*) ' | ext. field(3) ,thickness, width, c, number_of_muons, |'
|
||||
Write(6,*) ' | initial-muon-direction(theta, phi)[degrees], |'
|
||||
Write(6,*) ' | (muon-positions from) depth1, (to) depth2 [nm], |'
|
||||
Write(6,*) ' | fluctions rate [inverse microsec], |'
|
||||
Write(6,*) ' | fluctuation amplitude parallel to film [0..360degr.],|'
|
||||
Write(6,*) ' | fluctuation amplitude perpendicular to film |'
|
||||
Write(6,*) ' | [0..180degr.] |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | Lines with a ! in the first position are treated as comments. |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | <calculation> can be issued as a commandline parameter |'
|
||||
Write(6,*) ' ---------------------------------------------------------------------'
|
||||
|
||||
! files :
|
||||
|
||||
inquire( file='\simulations\counter.his', exist = unique )
|
||||
IF ( unique ) THEN
|
||||
open(9,file='\simulations\counter.his',status='old',err=994)
|
||||
read(9,*) ifile ! initialize outputfile counter
|
||||
ELSE
|
||||
ifile = 0
|
||||
END IF
|
||||
|
||||
IF ( iargc() .GT. 0 ) THEN
|
||||
call getarg(1, calculation)
|
||||
Write(6,*) ' Calculation taken from commandline > ',calculation
|
||||
ELSE
|
||||
200 write(6,201)
|
||||
201 format(' '/' Give name of the calculation > ', \)
|
||||
read(5,'(a60)') calculation
|
||||
END IF
|
||||
|
||||
l_calc = index( calculation, ' ') - 1
|
||||
|
||||
IF ( l_calc .GT. 0 ) THEN
|
||||
open(1,file=calculation(1:l_calc)//'.inp',status='old',action='read',err=995 )
|
||||
open(2,file=calculation(1:l_calc)//'.out',status='unknown',action='write',err=996)
|
||||
|
||||
|
||||
END IF
|
||||
|
||||
! initialization of randomumber generator and Pi
|
||||
|
||||
iseed = 1234567
|
||||
Pi = acos( -1.0D+00 )
|
||||
|
||||
! Read everything from the input file, one line per calculation
|
||||
|
||||
DO WHILE ( .NOT. Eof(1) ) ! WHILE LOOP(1) over the input file
|
||||
|
||||
10 read(1,'(a127)',end=999) line
|
||||
|
||||
IF ( line(1:1) .EQ. '!' ) THEN
|
||||
Write(2,'(a)') line
|
||||
GOTO 10
|
||||
END IF
|
||||
|
||||
read(line,*,err=998,end=999) a, moment, b_ext, d, w, concentration, &
|
||||
& n_site, t_ini, p_ini, depth1, depth2, &
|
||||
& fluctuationrate, dphi, dtheta
|
||||
|
||||
IF ( n_site .GT. 0.8 * max_muons ) n_site = 0.8 * max_muons
|
||||
|
||||
! Estimate optimum time_step
|
||||
|
||||
b_abs = sqrt( sum( b_ext * b_ext ) )
|
||||
f_c = 135.5 * b_abs + 0.3 * moment * comcentration / (a*a*a)
|
||||
|
||||
time_step = min( 0.01, 0.1 / f_c )
|
||||
|
||||
! Initialize randomnumber generator "randomly"
|
||||
|
||||
call date_and_time( dddd, tttt, zone, dt )
|
||||
DO i = 1, dt(8) ! number milliseconds on the clock
|
||||
dummy = ran(iseed)
|
||||
END DO
|
||||
!
|
||||
|
||||
write(2,100) calculation(1:73),(dt(j),j=1,3),(dt(j),j=5,8)
|
||||
100 format(' '/' ',73('-')/' ',a73/' ',73('-')/ &
|
||||
& ' Calculation started ',i5,'-',i2,'-',i2, &
|
||||
& ' at ',2(i2,':'),i2,'.',i3/' ',73('-')/' ')
|
||||
write(2,'(a,f8.3)') ' lattice parameter = ', a
|
||||
write(2,'(a,f8.3)') ' magnetic moment = ', moment
|
||||
write(2,'(a,3f8.3)') ' external field = ', b_ext
|
||||
write(2,'(a,f8.3)') ' concentration = ', concentration
|
||||
write(2,'(a,2f8.3)') ' init.muon theta,phi = ', t_ini, p_ini
|
||||
write(2,'(a,f8.3)') ' fluctuationrate = ', fluctuationrate
|
||||
write(2,'(a,2f8.3)') ' fluctuation amp. = ', dphi, dtheta
|
||||
|
||||
emu(1) = sin(t_ini*Pi/180.0) * cos(p_ini*Pi/180.0)
|
||||
emu(2) = sin(t_ini*Pi/180.0) * sin(p_ini*Pi/180.0)
|
||||
emu(3) = cos(t_ini*Pi/180.0)
|
||||
|
||||
DO j = 1, max_muons
|
||||
m(j).dir = emu
|
||||
END DO
|
||||
|
||||
exp_time = 0.0D+00
|
||||
write_time = 0.0D+00
|
||||
|
||||
! update file index for
|
||||
|
||||
ifile = ifile + 1 ! increase outputfile number
|
||||
|
||||
IF ( unique ) THEN
|
||||
rewind(9)
|
||||
write(9,*) ifile ! store for next program
|
||||
END IF
|
||||
|
||||
write(file_index,'(''_'',i3)') ifile ! generate file_name
|
||||
|
||||
DO j = 2, 4
|
||||
IF (file_index(j:j) .EQ. ' ' ) file_index(j:j) = '0'
|
||||
END DO
|
||||
|
||||
open(3,file=calculation(1:l_calc)//file_index//'.g_t', &
|
||||
& status='unknown',action='write', err=997 )
|
||||
|
||||
! output time=0 asymmetries
|
||||
|
||||
write(3,'(4F19.6)' ) exp_time, emu
|
||||
write_time = write_time + time_resolution
|
||||
|
||||
! Initialize randomnumber generator "randomly"
|
||||
|
||||
call date_and_time( dddd, tttt, zone, dt )
|
||||
|
||||
DO i = 1, dt(8) ! number milliseconds on the clock
|
||||
dummy = ran(iseed)
|
||||
END DO
|
||||
|
||||
|
||||
! make lattice, spinglass, choose muon sites and calculates "interaction matrix"
|
||||
|
||||
CALL lattice( iseed, d, w, a, concentration, n_spin, nd, nw, s, &
|
||||
& n_site, depth1, depth2, m )
|
||||
|
||||
|
||||
write(2,'(a,f8.3)') ' thickness = ', d
|
||||
write(2,'(a,f8.3)') ' width = ', w
|
||||
write(2,'(a,i10)') ' number of spins = ', n_spin
|
||||
write(2,'(a,i10)') ' number of muons = ', n_site
|
||||
write(2,'(a,2f8.3)') ' muons penetrate betw. ', depth1, depth2
|
||||
write(2,'(a,a)') ' Output will be written on ', &
|
||||
& calculation(1:l_calc)//file_index//'.g_t'
|
||||
|
||||
write(6,'(a,f8.3)') ' lattice parameter = ', a
|
||||
write(6,'(a,f8.3)') ' magnetic moment = ', moment
|
||||
write(6,'(a,3f8.3)') ' external field = ', b_ext
|
||||
write(6,'(a,f8.3)') ' concentration = ', concentration
|
||||
write(6,'(a,2f8.3)') ' init.muon theta,phi = ', t_ini, p_ini
|
||||
write(6,'(a,f8.3)') ' fluctuationrate = ', fluctuationrate
|
||||
write(6,'(a,2f8.3)') ' fluctuation amp. = ', dphi, dtheta
|
||||
write(6,'(a,f8.3)') ' thickness = ', d
|
||||
write(6,'(a,f8.3)') ' width = ', w
|
||||
write(6,'(a,i10)') ' number of spins = ', n_spin
|
||||
write(6,'(a,i10)') ' number of muons = ', n_site
|
||||
write(6,'(a,2f8.3)') ' muons penetrate betw. ', depth1, depth2
|
||||
write(6,'(a,a)') ' Output will be written on ', &
|
||||
& calculation(1:l_calc)//file_index//'.g_t'
|
||||
|
||||
|
||||
|
||||
! The fluctuations are incorporated as follows:
|
||||
|
||||
! for rates larger then 1/time_resolution MHz,
|
||||
! a timestep tau is choosen from a
|
||||
! log distrubution ( tau = - ln(random) / fluctuationrate )
|
||||
! The muon then rotates for tau microseconds, after all spins
|
||||
! are rotated over an angle between - dtetha en dtheta and - dphi and dphi.
|
||||
! This process is repeated until the total time is n_time_steps*time_resolution
|
||||
! microsecods or more.
|
||||
! Output of the muon position is about every time_resolution microsecond.
|
||||
|
||||
! for rates smaller then 1/time_resolution MHz
|
||||
! the muons rotate 1000 times for time_resolution microsecond, after each rotation
|
||||
! a fraction (= fluctuationrate *time_resolution) of the magnetic ions are rotated
|
||||
! over an angle between - dtetha en dtheta and - dphi and dphi.
|
||||
|
||||
! After each fluctuation the fields at the muonsites are recalculated.
|
||||
|
||||
! "deporization" functions are calculated for
|
||||
! left-right, up-down and forward-backward detectors,
|
||||
! being the x-, y- and z-components of the muon spin vector.
|
||||
|
||||
! For arbitrary direction one has to take the scalar product of
|
||||
! that specific direction with the results produced by this program
|
||||
|
||||
|
||||
IF ( fluctuationrate .GT. 1.0/time_resolution ) THEN ! Rapid fluctuations
|
||||
|
||||
fraction = 1.0
|
||||
! Start of WHILE loop(2) over exp_time
|
||||
|
||||
DO WHILE ( exp_time .LT. time_resolution * float(n_time_steps) )
|
||||
|
||||
tau = - log( ran(iseed) ) / fluctuationrate
|
||||
|
||||
IF ( exp_time + tau .GT. time_resolution * float(n_time_steps) ) &
|
||||
& tau = time_resolution * float(n_time_steps) - exp_time
|
||||
|
||||
! take at least time_resolution microsec. steps, even if tau is larger
|
||||
|
||||
n_steps = floor( tau / time_resolution ) + 1
|
||||
step = tau / float( n_steps )
|
||||
|
||||
CALL fields( a, moment, b_ext, s, n_site, m)
|
||||
|
||||
DO i_step = 1, n_steps
|
||||
exp_time = exp_time + step
|
||||
call muonrotation( n_site, m, step )
|
||||
g_t = 0.0
|
||||
DO j = 1, n_site
|
||||
DO k = 1, 3
|
||||
g_t(k) = g_t(k) + m(j).dir(k)
|
||||
END DO
|
||||
END DO
|
||||
|
||||
g_t = g_t / float(n_site)
|
||||
|
||||
IF ( exp_time .GT. write_time ) THEN
|
||||
write(3,'(4F19.6)' ) exp_time, g_t
|
||||
write_time = exp_time + time_resolution
|
||||
END IF
|
||||
|
||||
END DO
|
||||
|
||||
! after tau, change spin directions and repeat the above.
|
||||
! however, stop when 10 microsec has been reached.
|
||||
|
||||
CALL fluctuation( iseed, n_spin, s, dtheta, dphi, fraction )
|
||||
|
||||
END DO ! END of WHILE loop(2)
|
||||
|
||||
ELSE ! fluctuationrate < 1/time_resolution
|
||||
|
||||
fraction = fluctuationrate * time_resolution
|
||||
step = time_resolution
|
||||
n_steps = n_time_steps
|
||||
|
||||
DO i_step = 1, n_steps
|
||||
exp_time = exp_time + step
|
||||
CALL fields( a, moment, b_ext, s, n_site, m)
|
||||
CALL muonrotation( n_site, m, step )
|
||||
|
||||
g_t = 0.0
|
||||
|
||||
DO j = 1, n_site
|
||||
DO k = 1, 3
|
||||
g_t(k) = g_t(k) + m(j).dir(k)
|
||||
END DO
|
||||
END DO
|
||||
|
||||
g_t = g_t / float(n_site)
|
||||
|
||||
write(3,'(4F19.6)' ) exp_time, g_t
|
||||
CALL fluctuation( iseed, n_spin, s, dtheta, dphi, fraction )
|
||||
|
||||
END DO
|
||||
|
||||
END IF
|
||||
|
||||
END DO ! END of WHILE loop(1)
|
||||
|
||||
STOP ' Program DYNAMICS stopped where it should stop '
|
||||
|
||||
994 STOP ' FATAL: Cannot open counter.his '
|
||||
|
||||
995 STOP ' FATAL: Cannot open input file '
|
||||
|
||||
996 STOP ' FATAL: Cannot open output file '
|
||||
|
||||
997 Write(2,*) ' Cannot open g_t file '
|
||||
STOP ' FATAL: Cannot open g_t file '
|
||||
|
||||
998 Write(2,*) ' Error in input file '
|
||||
STOP ' FATAL: Due to error in input file '
|
||||
|
||||
999 Write(2,*) ' End of input-file '
|
||||
STOP ' STOP End of input file '
|
||||
|
||||
end program dynamics
|
||||
|
||||
!$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
|
||||
|
||||
! LATTICE calculates the actual dimensions of the sample, places magnetic spins
|
||||
! randomly according to concentration, gives the spins a random direction
|
||||
! in space. It also generates a table of muonsites.
|
||||
|
||||
!$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
|
||||
|
||||
Subroutine lattice( iseed, d, w, a, concentration, n_spin, nd, nw, s, &
|
||||
& n_site, depth1, depth2, m )
|
||||
|
||||
! Structure to store the position (as lattice site-indexes)
|
||||
! and the direction-cosines of each spin and muon.
|
||||
|
||||
implicit none
|
||||
|
||||
integer*4,parameter::max_spins = 50000, & ! maximum number of magnetic moments
|
||||
& max_muons = 10000, & ! maximum number of muons
|
||||
& max_nn = 500 ! maximum number of nearest neighbours
|
||||
|
||||
|
||||
structure /spin/
|
||||
integer*4 x,y,z
|
||||
real*8 theta,phi,dir(3)
|
||||
end structure
|
||||
|
||||
structure /muon/
|
||||
integer*4 x,y,z, ns, s(max_nn)
|
||||
real*8 dir(3), r(3,max_nn), r_2(max_nn), r_5(max_nn), omega(3)
|
||||
end structure
|
||||
|
||||
real*8 d, w, a, concentration, c, depth1, depth2, fraction, radiussq
|
||||
real*8 Pi, r(3), r_2, r_3, r_5, help
|
||||
integer*4 iseed, nd, nw, nat, n_spin, n_site, nd1, nd2
|
||||
integer*4 i, j, k, l, hw, kw, ns
|
||||
record /spin/ s(*)
|
||||
record /muon/ m(*)
|
||||
|
||||
Pi = acos( -1.0D+00 )
|
||||
c = concentration / 100.0
|
||||
|
||||
! Calculate the 'rounded' number of spins for a lattice m*m*n for
|
||||
! the given concentration.
|
||||
! n is the number of atoms (half unitcells) perpendicular
|
||||
! to the layer (== z-direction).
|
||||
! m is the size of the layer in the x- and y-direction
|
||||
|
||||
nd = floor(2.0 * d / a ) + 2
|
||||
nw = floor(2.0 * w / a ) + 2
|
||||
nat = nd * nw * nw / 2
|
||||
n_spin = floor( nat * c )
|
||||
d = float(nd) * a / 2.0
|
||||
w = float(nw) * a / 2.0
|
||||
hw = nw / 2
|
||||
|
||||
IF ( c .GT. 0.0 ) THEN
|
||||
radiussq = (( 1.6 * float(max_nn) / c ) / ( 4.0 * Pi / 3.0 ))**(2.0/3.0)
|
||||
ELSE
|
||||
radiussq = 1D+10
|
||||
END IF
|
||||
|
||||
write(2,*) ' radius = ', sqrt( radiussq )
|
||||
|
||||
nd1 = floor( 2.0 * depth1 / a )
|
||||
nd2 = floor( 2.0 * depth2 / a )
|
||||
IF ( mod( nd1 , 2 ) .EQ. 0 ) nd1 = nd1 + 1 ! nd1 should be odd
|
||||
IF ( nd2 .LT. nd1 + 1 ) nd2 = nd1 + 1
|
||||
depth1 = float(nd1) * a / 2.0
|
||||
depth2 = float(nd2) * a / 2.0
|
||||
fraction = float(n_site) / (float((nd2-nd1)*nw*nw) / 8.0)
|
||||
|
||||
|
||||
! Place the spins randomly on the fcc-lattice
|
||||
! Run over a whole simple cubic lattice in steps
|
||||
! of half of the fcc-unitcell.
|
||||
! Then take care of the fcc-structure and
|
||||
! decide whether or not to place a spin.
|
||||
|
||||
n_spin = 0
|
||||
|
||||
DO j = 0, nw-1
|
||||
DO k = 0, nw-1
|
||||
DO l = 0, nd-1
|
||||
IF ( mod(j+k+l,2) .EQ. 0 ) THEN ! This takes care of the fcc structure.
|
||||
IF ( ran(iseed) .LT. c ) THEN ! Takes care of concentration
|
||||
n_spin = n_spin + 1
|
||||
IF ( n_spin .GT. max_spins ) STOP ' Stopped because number of spin too large '
|
||||
s(n_spin).x = j
|
||||
s(n_spin).y = k
|
||||
s(n_spin).z = l
|
||||
|
||||
! Give the spin an arbitrary direction
|
||||
|
||||
s(n_spin).theta = Pi * ran(iseed)
|
||||
s(n_spin).phi = (Pi+Pi) * ran(iseed)
|
||||
s(n_spin).dir(1) = sin(s(n_spin).theta) * cos(s(n_spin).phi)
|
||||
s(n_spin).dir(2) = sin(s(n_spin).theta) * sin(s(n_spin).phi)
|
||||
s(n_spin).dir(3) = cos(s(n_spin).theta)
|
||||
|
||||
END IF
|
||||
END IF
|
||||
|
||||
|
||||
END DO
|
||||
END DO
|
||||
END DO
|
||||
|
||||
! determine positions of the muons
|
||||
|
||||
n_site = 0
|
||||
|
||||
DO j = 1, nw-1, 2
|
||||
DO k = 1, nw-1, 2
|
||||
DO l = nd1, nd2, 2
|
||||
|
||||
IF ( ran(iseed) .LT. fraction ) THEN
|
||||
n_site = n_site + 1
|
||||
m(n_site).x = j
|
||||
m(n_site).y = k
|
||||
m(n_site).x = l
|
||||
ns = 0
|
||||
|
||||
DO i = 1, n_spin
|
||||
kw = j - s(i).x
|
||||
IF ( kw .LT. -hw ) kw = kw + nw ! periodic boundary condition
|
||||
IF ( kw .GT. hw ) kw = kw - nw ! periodic boundary condition
|
||||
r(1) = dble(float(kw))
|
||||
kw = k - s(i).y
|
||||
IF ( kw .LT. -hw ) kw = kw + nw ! periodic boundary condition
|
||||
IF ( kw .GT. hw ) kw = kw - nw ! periodic boundary condition
|
||||
r(2) = dble(float(kw))
|
||||
r(3) = dble(float(l-s(i).z)) ! NO periodic boundary condition
|
||||
r_2 = sum( r * r )
|
||||
|
||||
IF ( r_2 .LE. radiussq ) THEN ! skip calculation if distance
|
||||
! is too large
|
||||
help = sqrt( r_2 )
|
||||
r_3 = r_2 * help
|
||||
r_5 = r_2 * r_3
|
||||
ns = ns + 1
|
||||
IF (ns .GT. max_nn) STOP ' Stopped because NS becomes too large '
|
||||
m(n_site).s(ns) = i
|
||||
m(n_site).r(1,ns) = r(1)
|
||||
m(n_site).r(2,ns) = r(2)
|
||||
m(n_site).r(3,ns) = r(3)
|
||||
m(n_site).r_2(ns) = r_2
|
||||
m(n_site).r_5(ns) = r_5
|
||||
END IF
|
||||
|
||||
END DO
|
||||
|
||||
m(n_site).ns = ns
|
||||
|
||||
END IF
|
||||
|
||||
END DO
|
||||
END DO
|
||||
END DO
|
||||
|
||||
|
||||
|
||||
RETURN
|
||||
END
|
||||
|
||||
!$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
|
||||
|
||||
! FIELDS calculates all internal fields at the muonsites and
|
||||
! adds the external field
|
||||
|
||||
!$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
|
||||
|
||||
Subroutine fields( a, moment, b_ext, s, n_site, m)
|
||||
|
||||
implicit none
|
||||
|
||||
integer*4,parameter::max_spins = 50000, & ! maximum number of magnetic moments
|
||||
& max_muons = 10000, & ! maximum number of muons
|
||||
& max_nn = 500 ! maximum number of nearest neighbours
|
||||
|
||||
|
||||
structure /spin/
|
||||
integer*4 x,y,z
|
||||
real*8 theta,phi,dir(3)
|
||||
end structure
|
||||
|
||||
structure /muon/
|
||||
integer*4 x,y,z, ns, s(max_nn)
|
||||
real*8 dir(3), r(3,max_nn), r_2(max_nn), r_5(max_nn), omega(3)
|
||||
end structure
|
||||
|
||||
real*8 Pi, Gyro, p_r, a, factor
|
||||
real*8 b(3), b_ext(3), moment
|
||||
integer*4 j, k, l, n_site
|
||||
record /spin/ s(*)
|
||||
record /muon/ m(*)
|
||||
|
||||
Pi = acos(-1D+00)
|
||||
Gyro = (Pi+Pi) * 135.54 ! gyro-magnetic ratio of muon [tesla^-1 s^-1]
|
||||
factor = 1D-07 * moment * 9.2740019D-24 / ( a*a*a * 0.125D-27 )
|
||||
|
||||
DO j = 1, n_site
|
||||
b = 0
|
||||
DO k = 1, m(j).ns
|
||||
l = m(j).s(k)
|
||||
p_r = m(j).r(1,k) * s(l).dir(1) + &
|
||||
& m(j).r(2,k) * s(l).dir(2) + &
|
||||
& m(j).r(3,k) * s(l).dir(3)
|
||||
b(1) = b(1) + (3.0D+00*p_r*m(j).r(1,k)-m(j).r_2(k)*s(l).dir(1))/m(j).r_5(k)
|
||||
b(2) = b(2) + (3.0D+00*p_r*m(j).r(2,k)-m(j).r_2(k)*s(l).dir(2))/m(j).r_5(k)
|
||||
b(3) = b(3) + (3.0D+00*p_r*m(j).r(3,k)-m(j).r_2(k)*s(l).dir(3))/m(j).r_5(k)
|
||||
END DO
|
||||
b = factor * b + b_ext
|
||||
m(j).omega(1) = Gyro * b(1)
|
||||
m(j).omega(2) = Gyro * b(2)
|
||||
m(j).omega(3) = Gyro * b(3)
|
||||
END DO
|
||||
|
||||
RETURN
|
||||
END
|
||||
|
||||
!$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
|
||||
|
||||
! FLUCTUATION changes all directions of the spins with a random amount
|
||||
! DTHETA and DPHI
|
||||
|
||||
!$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
|
||||
|
||||
Subroutine fluctuation( iseed, n_spin, s, dtheta, dphi, fraction )
|
||||
|
||||
implicit none
|
||||
|
||||
integer*4,parameter::max_spins = 50000, & ! maximum number of magnetic moments
|
||||
& max_muons = 10000, & ! maximum number of muons
|
||||
& max_nn = 500 ! maximum number of nearest neighbours
|
||||
|
||||
structure /spin/
|
||||
integer*4 x,y,z
|
||||
real*8 theta,phi,dir(3)
|
||||
end structure
|
||||
|
||||
record /spin/ s(*)
|
||||
real*8 dtheta, dphi, dt, dp, Pi, fraction
|
||||
integer*4 iseed, n_spin, i_spin
|
||||
|
||||
IF ( fraction .LT. 1.0D-06 .OR. &
|
||||
& ( dtheta .LT. 1.0D-06 .AND. dphi .LT. 1.0D-06 ) ) RETURN
|
||||
|
||||
Pi = acos( -1.0D+00 )
|
||||
dt = dtheta * Pi / 180.0 ! amplitude of the fluctuation in theta
|
||||
dp = dphi * Pi / 180.0 ! amplitude of the fluctuation in phi
|
||||
|
||||
DO i_spin = 1, n_spin
|
||||
IF ( ran(iseed) .LT. fraction ) THEN
|
||||
s(i_spin).theta = s(i_spin).theta + 2.0 * dt * (ran(iseed)-0.5)
|
||||
s(i_spin).phi = s(i_spin).phi + 2.0 * dp * (ran(iseed)-0.5)
|
||||
s(i_spin).dir(1) = sin(s(i_spin).theta) * cos(s(i_spin).phi)
|
||||
s(i_spin).dir(2) = sin(s(i_spin).theta) * sin(s(i_spin).phi)
|
||||
s(i_spin).dir(3) = cos(s(i_spin).theta)
|
||||
END IF
|
||||
END DO
|
||||
|
||||
RETURN
|
||||
END
|
||||
|
||||
!$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
|
||||
|
||||
! MUONROTATION rotates all muons over the vector m.omega * step
|
||||
|
||||
!$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
|
||||
|
||||
Subroutine muonrotation( n_site, m, step )
|
||||
|
||||
implicit none
|
||||
|
||||
integer*4,parameter::max_spins = 50000, & ! maximum number of magnetic moments
|
||||
& max_muons = 10000, & ! maximum number of muons
|
||||
& max_nn = 500 ! maximum number of nearest neighbours
|
||||
|
||||
structure /muon/
|
||||
integer*4 x,y,z, ns, s(max_nn)
|
||||
real*8 dir(3), r(3,max_nn), r_2(max_nn), r_5(max_nn), omega(3)
|
||||
end structure
|
||||
|
||||
record /muon/ m(*)
|
||||
real*8 v(3), OM(3), step
|
||||
integer*4 j, n_site
|
||||
|
||||
DO j = 1, n_site
|
||||
OM(1) = m(j).omega(1)
|
||||
OM(2) = m(j).omega(2)
|
||||
OM(3) = m(j).omega(3)
|
||||
OM = OM * step
|
||||
v(1) = m(j).dir(1)
|
||||
v(2) = m(j).dir(2)
|
||||
v(3) = m(j).dir(3)
|
||||
call rotation( v, OM )
|
||||
m(j).dir(1) = v(1)
|
||||
m(j).dir(2) = v(2)
|
||||
m(j).dir(3) = v(3)
|
||||
END DO
|
||||
|
||||
RETURN
|
||||
END
|
||||
|
||||
!$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
|
||||
|
||||
! ROTATION rotates a vector V around the vector O
|
||||
|
||||
!$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
|
||||
|
||||
Subroutine rotation( v, o )
|
||||
|
||||
implicit none
|
||||
|
||||
real*8 v(3), o(3), uo(3), r(3), o_abs, cc, ss
|
||||
|
||||
o_abs = sqrt( sum( o * o ) )
|
||||
|
||||
IF ( o_abs .GT. 1D-08 ) THEN
|
||||
uo = o / o_abs
|
||||
cc = cos( o_abs )
|
||||
ss = sin( o_abs )
|
||||
|
||||
r(1) = ( cc+uo(1)*uo(1)*(1-cc) ) * v(1) + &
|
||||
& ( -uo(3)*ss+uo(1)*uo(2)*(1-cc) ) * v(2) + &
|
||||
& ( uo(2)*ss+uo(1)*uo(3)*(1-cc) ) * v(3)
|
||||
|
||||
r(2) = ( uo(3)*ss+uo(1)*uo(2)*(1-cc) ) * v(1) + &
|
||||
& ( cc+uo(2)*uo(2)*(1-cc) ) * v(2) + &
|
||||
& ( -uo(1)*ss+uo(2)*uo(3)*(1-cc) ) * v(3)
|
||||
|
||||
r(3) = ( -uo(2)*ss+uo(1)*uo(3)*(1-cc) ) * v(1) + &
|
||||
& ( uo(1)*ss+uo(2)*uo(3)*(1-cc) ) * v(2) + &
|
||||
& ( cc+uo(3)*uo(3)*(1-cc) ) * v(3)
|
||||
|
||||
v = r
|
||||
END IF
|
||||
|
||||
RETURN
|
||||
END
|
||||
19
dynamics/dynamics.plg
Executable file
19
dynamics/dynamics.plg
Executable file
@ -0,0 +1,19 @@
|
||||
<html>
|
||||
<body>
|
||||
<pre>
|
||||
<h1>Build Log</h1>
|
||||
<h3>
|
||||
--------------------Configuration: dynamics - Win32 Debug--------------------
|
||||
</h3>
|
||||
<h3>Command Lines</h3>
|
||||
Creating command line "link.exe kernel32.lib /nologo /subsystem:console /incremental:no /pdb:"Debug/dynamics.pdb" /debug /machine:I386 /out:"Debug/dynamics.exe" /pdbtype:sept .\Debug\dynamics.obj "
|
||||
<h3>Output Window</h3>
|
||||
Linking...
|
||||
|
||||
|
||||
|
||||
<h3>Results</h3>
|
||||
dynamics.exe - 0 error(s), 0 warning(s)
|
||||
</pre>
|
||||
</body>
|
||||
</html>
|
||||
BIN
index/Debug/DF60.PDB
Executable file
BIN
index/Debug/DF60.PDB
Executable file
Binary file not shown.
BIN
index/Debug/index old files.obj
Executable file
BIN
index/Debug/index old files.obj
Executable file
Binary file not shown.
BIN
index/Debug/index.pdb
Executable file
BIN
index/Debug/index.pdb
Executable file
Binary file not shown.
BIN
index/Release/index old files.obj
Executable file
BIN
index/Release/index old files.obj
Executable file
Binary file not shown.
60
index/index old files.f90
Executable file
60
index/index old files.f90
Executable file
@ -0,0 +1,60 @@
|
||||
!
|
||||
! Program to index old files
|
||||
!
|
||||
character*4 file_index
|
||||
character*80 calculation, dummy
|
||||
character*48 g_t
|
||||
character*32 his
|
||||
integer ifile, i,j
|
||||
!
|
||||
ifile = 0
|
||||
!
|
||||
1 CONTINUE
|
||||
200 write(6,201)
|
||||
201 format(' '/' Give name of the calculation > ', \)
|
||||
read(5,'(a60)') calculation
|
||||
IF ( calculation(1:1) .EQ. ' ' ) STOP ' Stopped by operator '
|
||||
l_calc = index( calculation, ' ') - 1
|
||||
!
|
||||
open(1,file=calculation(1:l_calc)//'.inp',status='old',action='read',err=200 )
|
||||
open(3,file=calculation(1:l_calc)//'.g_t',status='old',action='read')
|
||||
open(4,file=calculation(1:l_calc)//'.his',status='old',action='read')
|
||||
!
|
||||
read(1,'(a80)') comment
|
||||
read(4,'(a80)') dummy
|
||||
!
|
||||
300 read(1,'(a80)',end=900) dummy
|
||||
ifile = ifile + 1 ! increase outputfile number
|
||||
write(file_index,'(''_'',i3)') ifile ! generate file_name
|
||||
DO j = 2, 4
|
||||
IF (file_index(j:j) .EQ. ' ' ) file_index(j:j) = '0'
|
||||
END DO
|
||||
!
|
||||
write(6,*) ' file index = ', file_index
|
||||
!
|
||||
open(8,file=calculation(1:l_calc)//file_index//'.g_t',status='unknown',action='write')
|
||||
open(9,file=calculation(1:l_calc)//file_index//'.his',status='unknown',action='write')
|
||||
!
|
||||
DO j = 1, 1000
|
||||
read(3,'(a48)',end=305) g_t
|
||||
write(8,'(a48)') g_t
|
||||
END DO
|
||||
305 close(8)
|
||||
!
|
||||
310 read(4,'(a32)',end=390) his
|
||||
IF (his(2:2) .EQ. '-') goto 390
|
||||
write(9,'(a32)') his
|
||||
GOTO 310
|
||||
!
|
||||
390 close(9)
|
||||
GOTO 300
|
||||
!
|
||||
! finish
|
||||
!
|
||||
900 close(1)
|
||||
close(3)
|
||||
close(4)
|
||||
Write(6,*) ' end of *.inp file '
|
||||
Write(6,*) ' '
|
||||
GOTO 200
|
||||
END
|
||||
105
index/index.dsp
Executable file
105
index/index.dsp
Executable file
@ -0,0 +1,105 @@
|
||||
# Microsoft Developer Studio Project File - Name="index" - Package Owner=<4>
|
||||
# Microsoft Developer Studio Generated Build File, Format Version 6.00
|
||||
# ** DO NOT EDIT **
|
||||
|
||||
# TARGTYPE "Win32 (x86) Console Application" 0x0103
|
||||
|
||||
CFG=index - Win32 Debug
|
||||
!MESSAGE This is not a valid makefile. To build this project using NMAKE,
|
||||
!MESSAGE use the Export Makefile command and run
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "index.mak".
|
||||
!MESSAGE
|
||||
!MESSAGE You can specify a configuration when running NMAKE
|
||||
!MESSAGE by defining the macro CFG on the command line. For example:
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "index.mak" CFG="index - Win32 Debug"
|
||||
!MESSAGE
|
||||
!MESSAGE Possible choices for configuration are:
|
||||
!MESSAGE
|
||||
!MESSAGE "index - Win32 Release" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE "index - Win32 Debug" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE
|
||||
|
||||
# Begin Project
|
||||
# PROP AllowPerConfigDependencies 0
|
||||
# PROP Scc_ProjName ""
|
||||
# PROP Scc_LocalPath ""
|
||||
CPP=cl.exe
|
||||
F90=df.exe
|
||||
RSC=rc.exe
|
||||
|
||||
!IF "$(CFG)" == "index - Win32 Release"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 0
|
||||
# PROP BASE Output_Dir "Release"
|
||||
# PROP BASE Intermediate_Dir "Release"
|
||||
# PROP BASE Target_Dir ""
|
||||
# PROP Use_MFC 0
|
||||
# PROP Use_Debug_Libraries 0
|
||||
# PROP Output_Dir "Release"
|
||||
# PROP Intermediate_Dir "Release"
|
||||
# PROP Target_Dir ""
|
||||
# ADD BASE F90 /compile_only /nologo /warn:nofileopt
|
||||
# ADD F90 /compile_only /nologo /warn:nofileopt
|
||||
# ADD BASE CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
|
||||
# ADD CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
|
||||
# ADD BASE RSC /l 0x409 /d "NDEBUG"
|
||||
# ADD RSC /l 0x409 /d "NDEBUG"
|
||||
BSC32=bscmake.exe
|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /machine:I386
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /machine:I386
|
||||
|
||||
!ELSEIF "$(CFG)" == "index - Win32 Debug"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 1
|
||||
# PROP BASE Output_Dir "Debug"
|
||||
# PROP BASE Intermediate_Dir "Debug"
|
||||
# PROP BASE Target_Dir ""
|
||||
# PROP Use_MFC 0
|
||||
# PROP Use_Debug_Libraries 1
|
||||
# PROP Output_Dir "Debug"
|
||||
# PROP Intermediate_Dir "Debug"
|
||||
# PROP Target_Dir ""
|
||||
# ADD BASE F90 /check:bounds /compile_only /debug:full /nologo /traceback /warn:argument_checking /warn:nofileopt
|
||||
# ADD F90 /check:bounds /compile_only /debug:full /nologo /traceback /warn:argument_checking /warn:nofileopt
|
||||
# ADD BASE CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
|
||||
# ADD CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
|
||||
# ADD BASE RSC /l 0x409 /d "_DEBUG"
|
||||
# ADD RSC /l 0x409 /d "_DEBUG"
|
||||
BSC32=bscmake.exe
|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /incremental:no /debug /machine:I386 /pdbtype:sept
|
||||
|
||||
!ENDIF
|
||||
|
||||
# Begin Target
|
||||
|
||||
# Name "index - Win32 Release"
|
||||
# Name "index - Win32 Debug"
|
||||
# Begin Group "Source Files"
|
||||
|
||||
# PROP Default_Filter "cpp;c;cxx;rc;def;r;odl;idl;hpj;bat;f90;for;f;fpp"
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=".\index old files.f90"
|
||||
# End Source File
|
||||
# End Group
|
||||
# Begin Group "Header Files"
|
||||
|
||||
# PROP Default_Filter "h;hpp;hxx;hm;inl;fi;fd"
|
||||
# End Group
|
||||
# Begin Group "Resource Files"
|
||||
|
||||
# PROP Default_Filter "ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe"
|
||||
# End Group
|
||||
# End Target
|
||||
# End Project
|
||||
19
index/index.plg
Executable file
19
index/index.plg
Executable file
@ -0,0 +1,19 @@
|
||||
<html>
|
||||
<body>
|
||||
<pre>
|
||||
<h1>Build Log</h1>
|
||||
<h3>
|
||||
--------------------Configuration: index - Win32 Release--------------------
|
||||
</h3>
|
||||
<h3>Command Lines</h3>
|
||||
Creating command line "link.exe kernel32.lib /nologo /subsystem:console /incremental:no /pdb:"Release/index.pdb" /machine:I386 /out:"Release/index.exe" ".\Release\index old files.obj" "
|
||||
<h3>Output Window</h3>
|
||||
Linking...
|
||||
|
||||
|
||||
|
||||
<h3>Results</h3>
|
||||
index.exe - 0 error(s), 0 warning(s)
|
||||
</pre>
|
||||
</body>
|
||||
</html>
|
||||
BIN
make spinglass/Debug/DF60.PDB
Executable file
BIN
make spinglass/Debug/DF60.PDB
Executable file
Binary file not shown.
BIN
make spinglass/Debug/Zero Temperature.obj
Executable file
BIN
make spinglass/Debug/Zero Temperature.obj
Executable file
Binary file not shown.
BIN
make spinglass/Debug/make spinglass.pdb
Executable file
BIN
make spinglass/Debug/make spinglass.pdb
Executable file
Binary file not shown.
BIN
make spinglass/Release/Shortcut to make spinglass.exe.lnk
Executable file
BIN
make spinglass/Release/Shortcut to make spinglass.exe.lnk
Executable file
Binary file not shown.
BIN
make spinglass/Release/Zero Temperature.obj
Executable file
BIN
make spinglass/Release/Zero Temperature.obj
Executable file
Binary file not shown.
BIN
make spinglass/Release/field_simulation.obj
Executable file
BIN
make spinglass/Release/field_simulation.obj
Executable file
Binary file not shown.
BIN
make spinglass/Release/make spinglass.exe
Executable file
BIN
make spinglass/Release/make spinglass.exe
Executable file
Binary file not shown.
385
make spinglass/Zero Temperature.f90
Executable file
385
make spinglass/Zero Temperature.f90
Executable file
@ -0,0 +1,385 @@
|
||||
! Program to simulate thin film spinglasses.
|
||||
!
|
||||
! Ge Nieuwenhuys, June, 2002, Written as Ising Metropolis program
|
||||
! October 2005, Rewritten as Heisenberg Zero-Temperature
|
||||
! October 17, 2005 Bug in direct access file "removes" by
|
||||
! oversizing the recordlength
|
||||
!
|
||||
! October 12: periodic boundary conditions in y- z plane
|
||||
! October 14: random number start randomly (based on clock) for
|
||||
! batch calculations.
|
||||
! October 14: output-file-names are automatically indexed.
|
||||
!
|
||||
! Spins are located on a fcc lattice
|
||||
!
|
||||
! nspin number of spins
|
||||
! nsp number of spins asked
|
||||
! d thickness
|
||||
! a lattice constant
|
||||
! ah half of lattice constant
|
||||
!
|
||||
Use DFPORT ! library only needed for obtaining CPU-time
|
||||
Use DFLIB
|
||||
!
|
||||
parameter ( max_spins = 100000 )
|
||||
!
|
||||
structure /spin/
|
||||
integer*4 x,y,z
|
||||
real*8 c(3)
|
||||
end structure
|
||||
!
|
||||
structure /inter/
|
||||
integer si
|
||||
real*8 val
|
||||
end structure
|
||||
!
|
||||
integer*4 j,k,l,m,n, nsp, nspin, nat, steps_per_spin, mh, ix, iy, iz
|
||||
integer*4 l_calc, ifile, iseed
|
||||
record /spin/ s(max_spins)
|
||||
record /inter/ i(100,max_spins)
|
||||
real*8 d, concentration, c, dd(max_spins), rkky, norm, p(3), k_F
|
||||
real*8 b_ext(3), b_ext_K(3), moment, T_glass, mag(3)
|
||||
character*1 answer
|
||||
character*80 calculation, line
|
||||
logical open_inp
|
||||
character*8 dddd, tttt, zone
|
||||
character*4 file_index
|
||||
integer dt(8)
|
||||
real*4 runtime(2), start_time, end_time
|
||||
!
|
||||
! initialization
|
||||
!
|
||||
val = 0
|
||||
a = .407 ! nm, lattice parameter for Au
|
||||
k_F = 12.0 ! 1/nm, Fermi wavevector for Au
|
||||
moment = 2.2 ! mu_B, moment of the impurity spins
|
||||
b_ext(1) = 0.01
|
||||
b_ext(2) = 0.0
|
||||
b_ext(3) = 0.0 ! extrenal field of 100 gauss in x-direction
|
||||
T_glass = 15.0 ! glass_temperature in Kelvin
|
||||
ah = a / 2.0
|
||||
iseed = 1234567
|
||||
!
|
||||
Write(6,*) '-----------------------------------------------------'
|
||||
Write(6,*) '| SPIN-GLASS GROUNDSTATE SIMULATION |'
|
||||
Write(6,*) '| Version October 17, 2005 |'
|
||||
Write(6,*) '| |'
|
||||
Write(6,*) '| This program simulates a spin-glass groundstate |'
|
||||
Write(6,*) '| using the method as described by |'
|
||||
Write(6,*) '| Walstedt and Walker, Phys. Rev. B22 (1980) 3816 |'
|
||||
Write(6,*) '| |'
|
||||
Write(6,*) '| The program can be used in batch mode by |'
|
||||
Write(6,*) '| supplying the name of the calculation |'
|
||||
Write(6,*) '| (Enter will start the online mode) |'
|
||||
Write(6,*) '| |'
|
||||
Write(6,*) '| In de batch-mode the parameters will be read from |'
|
||||
Write(6,*) '| <calculation>.inp |'
|
||||
Write(6,*) '| A comment on the first line and then on |'
|
||||
Write(6,*) '| each line of this file |'
|
||||
Write(6,*) '| number of spins, |'
|
||||
Write(6,*) '| thickness of sample [nm], |'
|
||||
Write(6,*) '| lattice parameter [nm], |'
|
||||
Write(6,*) '| Fermi wave number [nm^-1] |'
|
||||
Write(6,*) '| concentration of spins [at.%], |'
|
||||
Write(6,*) '| glass temperature [K], |'
|
||||
Write(6,*) '| magnetic moment [mu_B], |'
|
||||
Write(6,*) '| external magnetic field (3 components) [tesla] |'
|
||||
Write(6,*) '| number of iterations |'
|
||||
Write(6,*) '| |'
|
||||
Write(6,*) '| <calculation> can be entered as a |'
|
||||
Write(6,*) '| commandline parameter |'
|
||||
Write(6,*) '-----------------------------------------------------'
|
||||
!
|
||||
! Ask name of calculation (and read if in batch mode )
|
||||
!
|
||||
!
|
||||
! files :
|
||||
!
|
||||
open(9,file='u:\simulations\counter.his',status='old')
|
||||
read(9,*) ifile ! initialize outputfile counter
|
||||
!
|
||||
IF ( iargc() .GT. 0 ) THEN
|
||||
call getarg(1, calculation)
|
||||
Write(6,*) ' Calculation taken from commandline > ',calculation
|
||||
ELSE
|
||||
777 write(6,778)
|
||||
778 format(' '/' Give name of the calculation > ', \)
|
||||
read(5,'(a80)') calculation
|
||||
END IF
|
||||
!
|
||||
IF ( calculation(1:1) .NE. ' ' ) THEN
|
||||
l_calc = index( calculation, ' ') - 1
|
||||
open(1,file=calculation(1:l_calc)//'.inp', status='old', action='read', err=777)
|
||||
open(2,file=calculation(1:l_calc)//'.out', status='unknown', action='write')
|
||||
END IF
|
||||
!
|
||||
inquire(1,opened=open_inp)
|
||||
IF (open_inp) read(1,'(a80)') comment
|
||||
!
|
||||
open(9,file='u:\simulations\counter.sgl',status='old')
|
||||
read(9,*) ifile
|
||||
!
|
||||
888 IF (open_inp) THEN ! new calculation
|
||||
889 ifile = ifile + 1 ! increase outputfile number
|
||||
rewind(9)
|
||||
write(9,*) ifile ! store for next program
|
||||
write(file_index,'(''_'',i3)') ifile ! generate file_name
|
||||
DO j = 2, 4
|
||||
IF (file_index(j:j) .EQ. ' ' ) file_index(j:j) = '0'
|
||||
END DO
|
||||
!
|
||||
! Although the length of the record /spin/ is 3*4 + 3*8 = 36, the length had to be
|
||||
! set to 40, otherwise the writing went wrong (s.c(3) always, except for the last
|
||||
! equal to zero
|
||||
!
|
||||
open(3,file=calculation(1:l_calc)//file_index//'.sgl',status='unknown', &
|
||||
& access='direct',form='binary',recl=40)
|
||||
!
|
||||
890 read(1,'(a80)',end=999) line
|
||||
IF ( line(1:1) .EQ. '!' ) THEN
|
||||
write(6,'(a)') line
|
||||
GOTO 890
|
||||
ELSE
|
||||
read(line,*,err=998,end=999) nsp, d, a, k_F, concentration, &
|
||||
& T_glass, moment, b_ext, &
|
||||
& steps_per_spin
|
||||
END IF
|
||||
!
|
||||
! Initialize randomnumber generator "randomly"
|
||||
!
|
||||
call date_and_time( dddd, tttt, zone, dt )
|
||||
DO j = 1, dt(8) ! number milliseconds on the clock
|
||||
dummy = rand(iseed)
|
||||
END DO
|
||||
!
|
||||
ELSE
|
||||
!
|
||||
! Ask size of the system
|
||||
!
|
||||
1 write(6,2)
|
||||
2 format( ' How many spins ? '\)
|
||||
read(5,*,err=1) nsp
|
||||
IF ( nsp .LE. 0 ) STOP ' Programm terminated by operator '
|
||||
IF ( nsp .GT. max_spins ) GOTO 1
|
||||
!
|
||||
3 write(6,4)
|
||||
4 format( ' What thickness [nm] ? '\)
|
||||
read(5,*,err=3) d
|
||||
!
|
||||
5 write(6,6)
|
||||
6 format( ' Which concentration [at.%] ? '\)
|
||||
read(5,*,err=5) concentration
|
||||
|
||||
7 write(6,8)
|
||||
8 format(' Give the T_glass and the magnetic moment > '\)
|
||||
read(5,*,err=7) T_glass, moment
|
||||
END IF
|
||||
!
|
||||
! end of getting all parameters
|
||||
!
|
||||
c = concentration / 100
|
||||
!
|
||||
! Calculate the magnetic field energy in Kelvin
|
||||
!
|
||||
b_ext_K = moment * (0.927 / 1.38) * b_ext
|
||||
!
|
||||
start_time = dtime(runtime) ! record the starttime
|
||||
!
|
||||
! Calculate the 'rounded' number of spins for a lattice n*m*m for
|
||||
! the given concentration
|
||||
!
|
||||
n = floor( d / ah )
|
||||
nat = floor( nsp / c )
|
||||
m = floor( sqrt( 2.0 * float(nat) / float(n) ) )
|
||||
mh = m / 2
|
||||
nat = m * m * n / 2
|
||||
nspin = floor( nat * c )
|
||||
!
|
||||
write(6,*) ' n = ', n,' m = ', m
|
||||
write(6,*) ' nat = ', nat
|
||||
write(6,*) ' nspin = ', nspin
|
||||
!
|
||||
write(2,*) ' n = ', n,' m = ', m
|
||||
write(2,*) ' nat = ', nat
|
||||
write(2,*) ' nspin = ', nspin
|
||||
!
|
||||
! Place the spins on the lattice
|
||||
!
|
||||
nspin = 0
|
||||
DO j = 0, n-1
|
||||
DO k = 0, m-1
|
||||
DO l = 0, m-1
|
||||
IF ( mod(j+k+l,2) .EQ. 0 ) THEN
|
||||
IF ( ran(iseed) .LT. c ) THEN
|
||||
nspin = nspin + 1
|
||||
s(nspin).x = j
|
||||
s(nspin).y = k
|
||||
s(nspin).z = l
|
||||
END IF
|
||||
END IF
|
||||
END DO
|
||||
END DO
|
||||
END DO
|
||||
!
|
||||
! Calculate the 100 shortest distances
|
||||
!
|
||||
write(6,*) ' '
|
||||
write(6,*) ' '
|
||||
!
|
||||
DO j = 1, nspin
|
||||
write(6,9) j, char(13)
|
||||
9 format(' Considering spin ', i5, a1,\)
|
||||
DO k = 1, nspin
|
||||
IF ( k .EQ. j ) THEN
|
||||
dd(k) = 1e10
|
||||
ELSE
|
||||
ix = s(j).x - s(k).x
|
||||
iy = s(j).y - s(k).y
|
||||
IF ( iy .LT. -mh ) iy = iy + m ! periodic boundary along y-axis
|
||||
IF ( iy .GT. mh ) iy = iy - m
|
||||
iz = s(j).z - s(k).z
|
||||
IF ( iz .LT. -mh ) iz = iz + m ! periodic boundary along z-axis
|
||||
IF ( iz .GT. mh ) iz = iz - m
|
||||
dd(k) = (ix*ix + iy*iy + iz*iz)
|
||||
END IF
|
||||
END DO
|
||||
!
|
||||
DO ii = 1, 100
|
||||
dd_min = 1E+10
|
||||
DO k = 1, nspin
|
||||
IF ( dd(k) .LT. dd_min ) THEN
|
||||
l = k
|
||||
dd_min = dd(k)
|
||||
END IF
|
||||
END DO
|
||||
i(ii,j).si = l
|
||||
i(ii,j).val = ah * sqrt(dd(l))
|
||||
dd(l) = 1e10
|
||||
END DO
|
||||
!
|
||||
! translate distance into interaction strength
|
||||
!
|
||||
DO ii = 1, 100
|
||||
i(ii,j).val = rkky( i(ii,j).val, k_F, T_glass )
|
||||
END DO
|
||||
!
|
||||
END DO
|
||||
!
|
||||
end_time = dtime(runtime)
|
||||
write(6,*) ' Finally, nspin = ', nspin,' in ', end_time - start_time,' seconds '
|
||||
write(2,*) ' Finally, nspin = ', nspin,' in ', end_time - start_time,' seconds '
|
||||
!
|
||||
! Initialize the spins
|
||||
!
|
||||
start_time = dtime(runtime)
|
||||
!
|
||||
DO j = 1, nspin
|
||||
DO k = 1, 3
|
||||
s(j).c(k) = 2.0*ran(iseed) - 1.0
|
||||
END DO
|
||||
norm = sqrt( sum( s(j).c * s(j).c ) )
|
||||
s(j).c = s(j).c / norm
|
||||
END DO
|
||||
!
|
||||
! Calculated the energy and magnetization
|
||||
!
|
||||
97 e = 0.0
|
||||
mag = 0.0
|
||||
!
|
||||
DO j = 1, nspin
|
||||
p = 0.0
|
||||
DO ii = 1, 100
|
||||
p = p + i(ii,j).val * s(i(ii,j).si).c
|
||||
END DO
|
||||
e = e + sum( p * s(j).c ) + sum( b_ext_K * s(j).c )
|
||||
mag = mag + s(j).c
|
||||
END DO
|
||||
!
|
||||
end_time = dtime(runtime)
|
||||
!
|
||||
Write(6,971) mag / float(nspin)
|
||||
Write(2,971) mag / float(nspin)
|
||||
971 format(' Magnetization = ',3F8.4)
|
||||
Write(6,972) e / float(nspin), end_time - start_time
|
||||
Write(2,972) e / float(nspin), end_time - start_time
|
||||
972 format( ' Energy = ', E14.4, ' after ', f8.2, ' seconds ' )
|
||||
!
|
||||
! Now start the serious running
|
||||
!
|
||||
91 IF ( .NOT. open_inp ) THEN
|
||||
98 write(6,99)
|
||||
99 format(' Give the number of steps per spin [0: new glass] > '\)
|
||||
read(5,*,err=98) steps_per_spin
|
||||
IF ( steps_per_spin .LE. 0 ) GOTO 777
|
||||
END IF
|
||||
!
|
||||
start_time = dtime(runtime) ! record the starttime
|
||||
write(6,*) ' '
|
||||
Write(6,*) ' ' ! to make space for the hashes
|
||||
!
|
||||
! Now comes the real hard work !!!!!!!!!!!
|
||||
!
|
||||
DO mon = 1, steps_per_spin
|
||||
DO j = 1, nspin
|
||||
e = 0.0
|
||||
p = 0.0
|
||||
DO ii = 1, 100
|
||||
p = p + i(ii,j).val * s(i(ii,j).si).c
|
||||
END DO
|
||||
p = p + b_ext_K
|
||||
norm = sqrt( sum( p * p ) )
|
||||
p = p / norm
|
||||
s(j).c = p
|
||||
END DO
|
||||
IF ( mod(mon,100) .EQ. 0 ) idummy = putc('#')
|
||||
END DO
|
||||
!
|
||||
876 write(6,*) ' '
|
||||
write(6,*) ' '
|
||||
write(3,rec=1) n,m,nspin,a,moment,T_glass
|
||||
write(3,rec=2) concentration,b_ext,steps_per_spin
|
||||
DO ispin = 1, nspin
|
||||
write(3,rec=ispin+2) s(ispin)
|
||||
END DO
|
||||
close(3)
|
||||
!
|
||||
IF ( open_inp ) THEN
|
||||
DO j = 1, nspin
|
||||
p = 0.0
|
||||
DO ii = 1, 100
|
||||
p = p + i(ii,j).val * s(i(ii,j).si).c
|
||||
END DO
|
||||
e = e + sum( p * s(j).c ) + sum( b_ext_K * s(j).c )
|
||||
mag = mag + s(j).c
|
||||
END DO
|
||||
!
|
||||
end_time = dtime(runtime)
|
||||
!
|
||||
Write(6,971) mag / float(nspin)
|
||||
Write(2,971) mag / float(nspin)
|
||||
Write(6,972) e / float(nspin), end_time - start_time
|
||||
Write(2,972) e / float(nspin), end_time - start_time
|
||||
GOTO 888
|
||||
ELSE
|
||||
GOTO 97
|
||||
END IF
|
||||
!
|
||||
998 STOP 'ERROR IN INPUT FILE '
|
||||
!
|
||||
999 STOP 'stopped at end of input'
|
||||
!
|
||||
END
|
||||
!
|
||||
!
|
||||
REAL*8 function RKKY(x, k_F, T_glass)
|
||||
real*8 x, k_F, T_glass, xx
|
||||
!
|
||||
! calculates the RKKY interaction,
|
||||
! Te factor of one thousand makes takes care that the RKKY still only
|
||||
! has to be multiplied by the glass-temperature.
|
||||
!
|
||||
xx = 2.0 * k_F * x
|
||||
rkky = 1.0D+03 * T_glass * ( xx * cos(xx) - sin(xx) ) /(xx*xx*xx*xx)
|
||||
!
|
||||
RETURN
|
||||
END
|
||||
108
make spinglass/make spinglass.dsp
Executable file
108
make spinglass/make spinglass.dsp
Executable file
@ -0,0 +1,108 @@
|
||||
# Microsoft Developer Studio Project File - Name="make spinglass" - Package Owner=<4>
|
||||
# Microsoft Developer Studio Generated Build File, Format Version 6.00
|
||||
# ** DO NOT EDIT **
|
||||
|
||||
# TARGTYPE "Win32 (x86) Console Application" 0x0103
|
||||
|
||||
CFG=make spinglass - Win32 Debug
|
||||
!MESSAGE This is not a valid makefile. To build this project using NMAKE,
|
||||
!MESSAGE use the Export Makefile command and run
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "make spinglass.mak".
|
||||
!MESSAGE
|
||||
!MESSAGE You can specify a configuration when running NMAKE
|
||||
!MESSAGE by defining the macro CFG on the command line. For example:
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "make spinglass.mak" CFG="make spinglass - Win32 Debug"
|
||||
!MESSAGE
|
||||
!MESSAGE Possible choices for configuration are:
|
||||
!MESSAGE
|
||||
!MESSAGE "make spinglass - Win32 Release" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE "make spinglass - Win32 Debug" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE
|
||||
|
||||
# Begin Project
|
||||
# PROP AllowPerConfigDependencies 0
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||||
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|
||||
# PROP Scc_LocalPath ""
|
||||
CPP=cl.exe
|
||||
F90=df.exe
|
||||
RSC=rc.exe
|
||||
|
||||
!IF "$(CFG)" == "make spinglass - Win32 Release"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 0
|
||||
# PROP BASE Output_Dir "Release"
|
||||
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||||
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||||
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||||
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|
||||
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|
||||
# PROP Intermediate_Dir "Release"
|
||||
# PROP Ignore_Export_Lib 0
|
||||
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|
||||
# ADD BASE F90 /compile_only /nologo /warn:nofileopt
|
||||
# ADD F90 /compile_only /nologo /warn:nofileopt
|
||||
# ADD BASE CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
|
||||
# ADD CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
|
||||
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|
||||
# ADD RSC /l 0x409 /d "NDEBUG"
|
||||
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|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /machine:I386
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /machine:I386 /out:"Release/make_spinglass.exe"
|
||||
# SUBTRACT LINK32 /incremental:yes
|
||||
|
||||
!ELSEIF "$(CFG)" == "make spinglass - Win32 Debug"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 1
|
||||
# PROP BASE Output_Dir "Debug"
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||||
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||||
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|
||||
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|
||||
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|
||||
# PROP Output_Dir "Debug"
|
||||
# PROP Intermediate_Dir "Debug"
|
||||
# PROP Ignore_Export_Lib 0
|
||||
# PROP Target_Dir ""
|
||||
# ADD BASE F90 /check:bounds /compile_only /debug:full /nologo /traceback /warn:argument_checking /warn:nofileopt
|
||||
# ADD F90 /check:bounds /compile_only /debug:full /nologo /traceback /warn:argument_checking /warn:nofileopt
|
||||
# ADD BASE CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
|
||||
# ADD CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
|
||||
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||||
# ADD RSC /l 0x409 /d "_DEBUG"
|
||||
BSC32=bscmake.exe
|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /incremental:no /debug /machine:I386 /out:"Debug/make_spinglass.exe" /pdbtype:sept
|
||||
|
||||
!ENDIF
|
||||
|
||||
# Begin Target
|
||||
|
||||
# Name "make spinglass - Win32 Release"
|
||||
# Name "make spinglass - Win32 Debug"
|
||||
# Begin Group "Source Files"
|
||||
|
||||
# PROP Default_Filter "cpp;c;cxx;rc;def;r;odl;idl;hpj;bat;f90;for;f;fpp"
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=".\Zero Temperature.f90"
|
||||
# End Source File
|
||||
# End Group
|
||||
# Begin Group "Header Files"
|
||||
|
||||
# PROP Default_Filter "h;hpp;hxx;hm;inl;fi;fd"
|
||||
# End Group
|
||||
# Begin Group "Resource Files"
|
||||
|
||||
# PROP Default_Filter "ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe"
|
||||
# End Group
|
||||
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|
||||
# End Project
|
||||
19
make spinglass/make spinglass.plg
Executable file
19
make spinglass/make spinglass.plg
Executable file
@ -0,0 +1,19 @@
|
||||
<html>
|
||||
<body>
|
||||
<pre>
|
||||
<h1>Build Log</h1>
|
||||
<h3>
|
||||
--------------------Configuration: make spinglass - Win32 Debug--------------------
|
||||
</h3>
|
||||
<h3>Command Lines</h3>
|
||||
Creating command line "link.exe kernel32.lib /nologo /subsystem:console /incremental:no /pdb:"Debug/make_spinglass.pdb" /debug /machine:I386 /out:"Debug/make_spinglass.exe" /pdbtype:sept ".\Debug\Zero Temperature.obj" "
|
||||
<h3>Output Window</h3>
|
||||
Linking...
|
||||
|
||||
|
||||
|
||||
<h3>Results</h3>
|
||||
make_spinglass.exe - 0 error(s), 0 warning(s)
|
||||
</pre>
|
||||
</body>
|
||||
</html>
|
||||
89
monte_carlo.dsw
Executable file
89
monte_carlo.dsw
Executable file
@ -0,0 +1,89 @@
|
||||
Microsoft Developer Studio Workspace File, Format Version 6.00
|
||||
# WARNING: DO NOT EDIT OR DELETE THIS WORKSPACE FILE!
|
||||
|
||||
###############################################################################
|
||||
|
||||
Project: "dipole field calculation"=".\dipole field calculation\dipole field calculation.dsp" - Package Owner=<4>
|
||||
|
||||
Package=<5>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
Package=<4>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
###############################################################################
|
||||
|
||||
Project: "dynamics"=.\dynamics\dynamics.dsp - Package Owner=<4>
|
||||
|
||||
Package=<5>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
Package=<4>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
###############################################################################
|
||||
|
||||
Project: "index"=.\index\index.dsp - Package Owner=<4>
|
||||
|
||||
Package=<5>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
Package=<4>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
###############################################################################
|
||||
|
||||
Project: "make spinglass"=".\make spinglass\make spinglass.dsp" - Package Owner=<4>
|
||||
|
||||
Package=<5>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
Package=<4>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
###############################################################################
|
||||
|
||||
Project: "test"=.\test\test.dsp - Package Owner=<4>
|
||||
|
||||
Package=<5>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
Package=<4>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
###############################################################################
|
||||
|
||||
Project: "to_plot"=.\to_plot\to_plot.dsp - Package Owner=<4>
|
||||
|
||||
Package=<5>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
Package=<4>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
###############################################################################
|
||||
|
||||
Global:
|
||||
|
||||
Package=<5>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
Package=<3>
|
||||
{{{
|
||||
}}}
|
||||
|
||||
###############################################################################
|
||||
|
||||
BIN
monte_carlo.ncb
Executable file
BIN
monte_carlo.ncb
Executable file
Binary file not shown.
BIN
monte_carlo.opt
Executable file
BIN
monte_carlo.opt
Executable file
Binary file not shown.
BIN
test/Debug/DF60.PDB
Executable file
BIN
test/Debug/DF60.PDB
Executable file
Binary file not shown.
91
test/test-1.f90
Executable file
91
test/test-1.f90
Executable file
@ -0,0 +1,91 @@
|
||||
!----------------------------------------------------------------------------------------
|
||||
! test for precession, ge nieuwenhuys, Oktober 25, 2005
|
||||
!----------------------------------------------------------------------------------------
|
||||
!
|
||||
! The initial muon direction is given by the unit vector emu, the magnetic field
|
||||
! is b (vector) and the observer (positroncounter) is supposed to be in the
|
||||
! direction of the unit-vector observer.
|
||||
!
|
||||
USE DFLIB
|
||||
!
|
||||
real*8 b(3), eb(3), emu(3), gyro(3), azi(3), length_b, length_gyro, length_azi
|
||||
real*8 observer(3), amplitude, help(3), cos_phase, phase
|
||||
real*8 length, saclar_pruduct, length_vector_product
|
||||
|
||||
1 write(6,2)
|
||||
2 format(' Give initial muon > '\)
|
||||
read(5,*,err=1) emu
|
||||
emu = emu / length(emu)
|
||||
3 write(6,4)
|
||||
4 format(' Give field > '\)
|
||||
read(5,*,err=3) b
|
||||
length_b = length( b )
|
||||
IF ( length_b .LT. 0.001 ) GOTO 1
|
||||
5 write(6,6)
|
||||
6 format(' Give observer > '\)
|
||||
read(5,*,err=5) observer
|
||||
IF ( length(observer) .LT. 0.01 ) GOTO 3
|
||||
observer = observer / length( observer)
|
||||
!
|
||||
eb = b / length_b ! unit vector along b
|
||||
length_azi = scalar_product( emu, eb ) ! length of azimuth of cone
|
||||
azi = length_azi * eb ! vector with length parallel to field
|
||||
length_gyro = length_vector_product( emu, eb ) ! length of the radius of base circle
|
||||
gyro = emu - azi ! that radius as vector at t = 0
|
||||
amplitude = length_vector_product( observer, eb ) ! the projection of the radius on the
|
||||
! direction of the observer.
|
||||
!
|
||||
! Spin will rotate around the field, and start -of course- from the initial spin direction.
|
||||
! So the radial vector at t=0 equals emu - azi, while the amplitude is the length
|
||||
! of the vector product observer, field. That means that the cosine of the phase angle
|
||||
! is the projection of gyro on the observer direction divided by the amplitude.
|
||||
!
|
||||
IF ( abs( amplitude ) .GT. 1D-09 ) THEN
|
||||
cos_phase = scalar_product( gyro, observer ) / amplitude
|
||||
ELSE
|
||||
cos_phase = 1.0
|
||||
END IF
|
||||
!
|
||||
phase = acos( cos_phase )
|
||||
!
|
||||
write(6,'(a,3f10.5)') ' emu = ', emu
|
||||
write(6,'(a,3f10.5)') ' eb = ', eb
|
||||
write(6,'(a,1f10.5)') ' length_azi = ', length_azi
|
||||
write(6,'(a,3f10.5)') ' azi = ', azi
|
||||
write(6,'(a,1f10.5)') ' length_gyro= ', length_gyro
|
||||
write(6,'(a,3f10.5)') ' gyro = ', gyro
|
||||
write(6,'(a,1f10.5)') ' amplitude = ', amplitude
|
||||
write(6,'(a,1f10.5)') ' cos_phase = ', cos_phase
|
||||
write(6,'(a,1f10.5)') ' phase = ', phase
|
||||
write(6,*) ' '
|
||||
!
|
||||
GOTO 5
|
||||
!
|
||||
END
|
||||
!
|
||||
real*8 FUNCTION length( v )
|
||||
real*8 v(3)
|
||||
length = sqrt( sum( v * v ) )
|
||||
RETURN
|
||||
END
|
||||
!
|
||||
real*8 FUNCTION scalar_product( v, w )
|
||||
real*8 v(3), w(3)
|
||||
scalar_product = sum( v * w )
|
||||
RETURN
|
||||
END
|
||||
!
|
||||
real*8 FUNCTION length_vector_product( v, w )
|
||||
real*8 v(3), w(3), vp(3), length
|
||||
call vector_product( vp, v, w )
|
||||
length_vector_product = length( vp )
|
||||
RETURN
|
||||
END
|
||||
!
|
||||
SUBROUTINE vector_product( vp, v, w )
|
||||
real*8 v(3), w(3), vp(3)
|
||||
vp(1) = v(2) * w(3) - v(3) * w(2)
|
||||
vp(2) = v(3) * w(1) - v(1) * w(3)
|
||||
vp(3) = v(1) * w(2) - v(2) * w(1)
|
||||
RETURN
|
||||
END
|
||||
62
test/test-2.f90
Executable file
62
test/test-2.f90
Executable file
@ -0,0 +1,62 @@
|
||||
!----------------------------------------------------------------------------------------
|
||||
! test for precession, ge nieuwenhuys, Oktober 25, 2005
|
||||
!----------------------------------------------------------------------------------------
|
||||
!
|
||||
! The initial muon direction is given by the unit vector emu, the magnetic field
|
||||
! is b (vector) and the observer (positroncounter) is supposed to be in the
|
||||
! direction of the unit-vector observer.
|
||||
!
|
||||
USE DFLIB
|
||||
!
|
||||
real*8 b(3), eb(3), emu(3), gyro(3), azi(3), length_b, length_gyro, length_azi
|
||||
real*8 observer(3), amplitude, help(3), cos_phase, phase, g_t_x, g_t_y, g_t_z, omega
|
||||
real*8 length, saclar_pruduct, length_vector_product
|
||||
|
||||
1 write(6,2)
|
||||
2 format(' Give initial muon > '\)
|
||||
read(5,*,err=1) emu
|
||||
emu = emu / length(emu)
|
||||
3 write(6,4)
|
||||
4 format(' Give field > '\)
|
||||
read(5,*,err=3) b
|
||||
length_b = length( b )
|
||||
IF ( length_b .LT. 0.001 ) GOTO 1
|
||||
!
|
||||
open(1,file='e:\simulations\rotatie.dat',status='unknown')
|
||||
eb = b / length_b
|
||||
omega = 135. * 6.28 * length_b
|
||||
!
|
||||
DO i = 1, 100
|
||||
!
|
||||
t = float(i-1) * 0.01
|
||||
!
|
||||
c = cos( omega * t )
|
||||
s = sin( omega * t )
|
||||
!
|
||||
g_t_x = ( c + eb(1)*eb(1)*(1-c) ) * emu(1) + &
|
||||
& ( eb(1)*eb(2)*(1-c)-eb(3)*s ) * emu(2) + &
|
||||
& ( eb(2)*s+eb(1)*eb(3)*(1-c) ) * emu(3)
|
||||
!
|
||||
g_t_y = ( eb(3)*s+eb(1)*eb(2)*(1-c) ) * emu(1) + &
|
||||
& ( c + eb(2)*eb(2) * (1-c) ) * emu(2) + &
|
||||
& ( -eb(1)*s+eb(2)*eb(3)*(1-c)) * emu(3)
|
||||
!
|
||||
g_t_z = ( -eb(2)*s+eb(1)*eb(3)*(1-c)) * emu(1) + &
|
||||
& ( eb(1)*s+eb(2)*eb(3)*(1-c)) * emu(2) + &
|
||||
& ( c+eb(3)*eb(3)*(1-c) ) * emu(3)
|
||||
!
|
||||
write(1,'(4E18.6)') t, g_t_x, g_t_y, g_t_z
|
||||
!
|
||||
END DO
|
||||
!
|
||||
Close(1)
|
||||
GOTO 3
|
||||
!
|
||||
END
|
||||
!
|
||||
real*8 FUNCTION length( v )
|
||||
real*8 v(3)
|
||||
length = sqrt( sum( v * v ) )
|
||||
RETURN
|
||||
END
|
||||
!
|
||||
118
test/test.dsp
Executable file
118
test/test.dsp
Executable file
@ -0,0 +1,118 @@
|
||||
# Microsoft Developer Studio Project File - Name="test" - Package Owner=<4>
|
||||
# Microsoft Developer Studio Generated Build File, Format Version 6.00
|
||||
# ** DO NOT EDIT **
|
||||
|
||||
# TARGTYPE "Win32 (x86) Console Application" 0x0103
|
||||
|
||||
CFG=test - Win32 Debug
|
||||
!MESSAGE This is not a valid makefile. To build this project using NMAKE,
|
||||
!MESSAGE use the Export Makefile command and run
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "test.mak".
|
||||
!MESSAGE
|
||||
!MESSAGE You can specify a configuration when running NMAKE
|
||||
!MESSAGE by defining the macro CFG on the command line. For example:
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "test.mak" CFG="test - Win32 Debug"
|
||||
!MESSAGE
|
||||
!MESSAGE Possible choices for configuration are:
|
||||
!MESSAGE
|
||||
!MESSAGE "test - Win32 Release" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE "test - Win32 Debug" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE
|
||||
|
||||
# Begin Project
|
||||
# PROP AllowPerConfigDependencies 0
|
||||
# PROP Scc_ProjName ""
|
||||
# PROP Scc_LocalPath ""
|
||||
CPP=cl.exe
|
||||
F90=df.exe
|
||||
RSC=rc.exe
|
||||
|
||||
!IF "$(CFG)" == "test - Win32 Release"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 0
|
||||
# PROP BASE Output_Dir "Release"
|
||||
# PROP BASE Intermediate_Dir "Release"
|
||||
# PROP BASE Target_Dir ""
|
||||
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|
||||
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|
||||
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|
||||
# PROP Intermediate_Dir "Release"
|
||||
# PROP Target_Dir ""
|
||||
# ADD BASE F90 /compile_only /nologo /warn:nofileopt
|
||||
# ADD F90 /compile_only /nologo /warn:nofileopt
|
||||
# ADD BASE CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
|
||||
# ADD CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
|
||||
# ADD BASE RSC /l 0x409 /d "NDEBUG"
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||||
# ADD RSC /l 0x409 /d "NDEBUG"
|
||||
BSC32=bscmake.exe
|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /machine:I386
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /machine:I386
|
||||
|
||||
!ELSEIF "$(CFG)" == "test - Win32 Debug"
|
||||
|
||||
# PROP BASE Use_MFC 0
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||||
# PROP BASE Use_Debug_Libraries 1
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||||
# PROP BASE Output_Dir "Debug"
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||||
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||||
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||||
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||||
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||||
# PROP Target_Dir ""
|
||||
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|
||||
# ADD F90 /check:bounds /compile_only /debug:full /nologo /traceback /warn:argument_checking /warn:nofileopt
|
||||
# ADD BASE CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
|
||||
# ADD CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
|
||||
# ADD BASE RSC /l 0x409 /d "_DEBUG"
|
||||
# ADD RSC /l 0x409 /d "_DEBUG"
|
||||
BSC32=bscmake.exe
|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /incremental:no /debug /machine:I386 /pdbtype:sept
|
||||
|
||||
!ENDIF
|
||||
|
||||
# Begin Target
|
||||
|
||||
# Name "test - Win32 Release"
|
||||
# Name "test - Win32 Debug"
|
||||
# Begin Group "Source Files"
|
||||
|
||||
# PROP Default_Filter "cpp;c;cxx;rc;def;r;odl;idl;hpj;bat;f90;for;f;fpp"
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=".\test-1.f90"
|
||||
|
||||
!IF "$(CFG)" == "test - Win32 Release"
|
||||
|
||||
# PROP Exclude_From_Build 1
|
||||
|
||||
!ELSEIF "$(CFG)" == "test - Win32 Debug"
|
||||
|
||||
!ENDIF
|
||||
|
||||
# End Source File
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=".\test-2.f90"
|
||||
# End Source File
|
||||
# End Group
|
||||
# Begin Group "Header Files"
|
||||
|
||||
# PROP Default_Filter "h;hpp;hxx;hm;inl;fi;fd"
|
||||
# End Group
|
||||
# Begin Group "Resource Files"
|
||||
|
||||
# PROP Default_Filter "ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe"
|
||||
# End Group
|
||||
# End Target
|
||||
# End Project
|
||||
24
test/test.f90
Executable file
24
test/test.f90
Executable file
@ -0,0 +1,24 @@
|
||||
! test.f90
|
||||
!
|
||||
! FUNCTIONS:
|
||||
! test - Entry point of console application.
|
||||
!
|
||||
! Example of displaying 'Hello World' at execution time.
|
||||
!
|
||||
|
||||
!****************************************************************************
|
||||
!
|
||||
! PROGRAM: test
|
||||
!
|
||||
! PURPOSE: Entry point for 'Hello World' sample console application.
|
||||
!
|
||||
!****************************************************************************
|
||||
|
||||
program test
|
||||
|
||||
implicit none
|
||||
|
||||
print *, 'Hello World'
|
||||
|
||||
end program test
|
||||
|
||||
19
test/test.plg
Executable file
19
test/test.plg
Executable file
@ -0,0 +1,19 @@
|
||||
<html>
|
||||
<body>
|
||||
<pre>
|
||||
<h1>Build Log</h1>
|
||||
<h3>
|
||||
--------------------Configuration: test - Win32 Release--------------------
|
||||
</h3>
|
||||
<h3>Command Lines</h3>
|
||||
Creating command line "link.exe kernel32.lib /nologo /subsystem:console /incremental:no /pdb:"Release/test.pdb" /machine:I386 /out:"Release/test.exe" ".\Release\test-2.obj" "
|
||||
<h3>Output Window</h3>
|
||||
Linking...
|
||||
|
||||
|
||||
|
||||
<h3>Results</h3>
|
||||
test.exe - 0 error(s), 0 warning(s)
|
||||
</pre>
|
||||
</body>
|
||||
</html>
|
||||
60
thinfilm/0.4 2.0
Executable file
60
thinfilm/0.4 2.0
Executable file
@ -0,0 +1,60 @@
|
||||
|
||||
------------------------------------------------------------------------------
|
||||
u:\simulations\output_5.txt
|
||||
------------------------------------------------------------------------------
|
||||
Calculation started 2005- 9-29 at 15:32
|
||||
------------------------------------------------------------------------------
|
||||
|
||||
sample = 5.0 nanometer thick, and 30.0 nanometer wide.
|
||||
concentration = 2.0 at. %
|
||||
anisotropy = F
|
||||
number of muons = 5000
|
||||
number of spins = 1
|
||||
average field = -0.597E-06 -0.612E-06 0.236E-06 tesla
|
||||
second moment = 0.584E-05 0.472E-05 0.363E-05 tesla
|
||||
cpu_time = -0.313E-01 seconds
|
||||
|
||||
------------------------------------------------------------------------------
|
||||
u:\simulations\output_5.txt
|
||||
------------------------------------------------------------------------------
|
||||
Calculation started 2005- 9-29 at 15:32
|
||||
------------------------------------------------------------------------------
|
||||
|
||||
sample = 5.0 nanometer thick, and 50.0 nanometer wide.
|
||||
concentration = 2.0 at. %
|
||||
anisotropy = F
|
||||
number of muons = 5000
|
||||
number of spins = 4
|
||||
average field = -0.448E-05 0.175E-07 0.759E-06 tesla
|
||||
second moment = 0.317E-04 0.236E-04 0.221E-04 tesla
|
||||
cpu_time = -0.156E-01 seconds
|
||||
|
||||
------------------------------------------------------------------------------
|
||||
u:\simulations\output_5.txt
|
||||
------------------------------------------------------------------------------
|
||||
Calculation started 2005- 9-29 at 15:32
|
||||
------------------------------------------------------------------------------
|
||||
|
||||
sample = 5.0 nanometer thick, and 15.0 nanometer wide.
|
||||
concentration = 2.0 at. %
|
||||
anisotropy = F
|
||||
number of muons = 5000
|
||||
number of spins = 3
|
||||
average field = 0.780E-05 0.826E-06 -0.503E-05 tesla
|
||||
second moment = 0.228E-04 0.128E-04 0.193E-04 tesla
|
||||
cpu_time = 0.000E+00 seconds
|
||||
|
||||
------------------------------------------------------------------------------
|
||||
u:\simulations\output_5.txt
|
||||
------------------------------------------------------------------------------
|
||||
Calculation started 2005- 9-29 at 15:32
|
||||
------------------------------------------------------------------------------
|
||||
|
||||
sample = 5.0 nanometer thick, and 10.0 nanometer wide.
|
||||
concentration = 2.0 at. %
|
||||
anisotropy = F
|
||||
number of muons = 5000
|
||||
number of spins = 1
|
||||
average field = -0.323E-05 -0.223E-05 0.446E-05 tesla
|
||||
second moment = 0.483E-05 0.404E-05 0.583E-05 tesla
|
||||
cpu_time = 0.000E+00 seconds
|
||||
644
thinfilm/field_calculation.f90
Executable file
644
thinfilm/field_calculation.f90
Executable file
@ -0,0 +1,644 @@
|
||||
! Program to calculate dipolar fields in spinglasses,
|
||||
! their distribution and the depolarization of the muon
|
||||
!
|
||||
! Ge Nieuwenhuys, March, September, October 2005
|
||||
!
|
||||
! October 12: periodic boundary conditions in y- z plane
|
||||
! October 14: random number start randomly (based on clock) for
|
||||
! batch calculations.
|
||||
! October 14: output-file-names are automatically indexed.
|
||||
! October 17: oversized the recordlength of the direct-accessfile for
|
||||
! unknown, but apparently essential reasons.
|
||||
!
|
||||
! Spins are located on a fcc lattice
|
||||
!
|
||||
! nspin number of spins
|
||||
! nsp number of spins asked
|
||||
! d thickness
|
||||
! a lattice constant
|
||||
! ah half of lattice constant
|
||||
!
|
||||
Use DFPORT ! library only needed for obtaining CPU-time
|
||||
Use DFLIB
|
||||
!
|
||||
! Structure to store the position (as lattice site-indexes)
|
||||
! and the direction-cosines of each spin.
|
||||
!
|
||||
structure /spin/
|
||||
integer*4 x,y,z
|
||||
real*8 dir(3)
|
||||
end structure
|
||||
!
|
||||
! Declarations, maximumnumber of spins: max_spins, maxd is the maximum number of
|
||||
! unitcell-distance for which the spin in included in the calculation
|
||||
!
|
||||
parameter( max_spins = 3000000, & ! maximum number of magnetic moments
|
||||
& gyro = 135.5, & ! gyromagnetic ratio of muon
|
||||
& twpi = 6.2831, & ! two times Pi
|
||||
& radius = 2.0, & ! maxinum distance [nm] for
|
||||
! the dipole-field will be calculated
|
||||
& range = 10.0, & ! maximum absolute value of the field expected
|
||||
& mrange = 4000, & ! range of the integer histograms
|
||||
& nrange = 80 ) ! range of the normalized histograms
|
||||
!
|
||||
character*10 dddd, tttt, zone
|
||||
character*4 file_index
|
||||
integer*4 dt(8), ifile, l_calc
|
||||
character*80 comment, calculation, line
|
||||
logical in_open, out_open, g_t_open, his_open, sgl, sgl_open
|
||||
integer*4 j,k,l,m,n, nsp, nspin, nat, id, ihist(3,-mrange:mrange)
|
||||
integer*4 iseed, maxfield, minfield, ihis, ibin, nd1, nd2, kd, ld, mh
|
||||
record /spin/ s(max_spins)
|
||||
real*8 d, concentration, c, dd(max_spins), w, depth1, depth2
|
||||
real*8 px(max_spins),py(max_spins), pz(max_spins)
|
||||
real*8 b(3), factor, moment, help, r_3, r_5, r(3), p_r, sq_3, h(3)
|
||||
real*8 fraction, norm, aver_b(3), sigma_b(3), delta(3), anisotropy, b_ext(3)
|
||||
real*8 g_t(3,0:999), omega, b_abs, b_sq, ca_sq, his, radiussq
|
||||
real*4 runtime(2), start_time, end_time
|
||||
real*8 eb(3), emu(3), cc, ss, theta, phi
|
||||
!
|
||||
Write(6,*) ' '
|
||||
Write(6,*) ' ---------------------------------------------------------------------'
|
||||
Write(6,*) ' | Program field-calculation of muons due to random static spins |'
|
||||
Write(6,*) ' | Version of October 31, 2005 |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | Input can also be read from an input file that should be named |'
|
||||
Write(6,*) ' | <calculation>.inp and contain: |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | ext. field(3) ,thickness, width, c, number_of_muons, |'
|
||||
Write(6,*) ' | lattice-constant [nm], magnetic moment [mu_B], |'
|
||||
Write(6,*) ' | initial-muon-direction(theta, phi)[degrees], |'
|
||||
Write(6,*) ' | (muon-positions from) depth1, (to) depth2 [nm], |'
|
||||
Write(6,*) ' | anisotropy [isotropic=1, planar <1, axial >1 |'
|
||||
Write(6,*) ' | (neg: ferromagnetic along the |'
|
||||
Write(6,*) ' | x - axis (anisotropy = -1.0) |'
|
||||
Write(6,*) ' | y - axis (anisotropy = -2.0) |'
|
||||
Write(6,*) ' | z - axis (anisotropy = -3.0) |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | O R |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | name of the <spin-glass>.sgl file produced by |'
|
||||
Write(6,*) ' | MAKE SPINGLASS (starting on the first position), |'
|
||||
Write(6,*) ' | number_of_muons, |'
|
||||
Write(6,*) ' | initial-muon-direction(theta, phi)[degrees], |'
|
||||
Write(6,*) ' | (muon-positions from) depth1, (to) depth2 [nm], |'
|
||||
Write(6,*) ' | |'
|
||||
write(6,*) ' | Lines starting with ! (first position) are treated as comments. |'
|
||||
Write(6,*) ' | <calculation> can be issued as a commandline parameter |'
|
||||
Write(6,*) ' ---------------------------------------------------------------------'
|
||||
!
|
||||
! files :
|
||||
!
|
||||
open(9,file='\simulations\counter.his',status='old')
|
||||
read(9,*) ifile ! initialize outputfile counter
|
||||
!
|
||||
! write(6,*) ' iargc = ', iargc()
|
||||
IF ( iargc() .GT. 0 ) THEN
|
||||
call getarg(1, calculation)
|
||||
Write(6,*) ' Calculation taken from commandline > ',calculation
|
||||
ELSE
|
||||
200 write(6,201)
|
||||
201 format(' '/' Give name of the calculation > ', \)
|
||||
read(5,'(a60)') calculation
|
||||
END IF
|
||||
!
|
||||
l_calc = index( calculation, ' ') - 1
|
||||
!
|
||||
IF ( l_calc .GT. 0 ) THEN
|
||||
open(1,file=calculation(1:l_calc)//'.inp',status='old',action='read',err=200 )
|
||||
open(2,file=calculation(1:l_calc)//'.out',status='unknown',action='write')
|
||||
!
|
||||
|
||||
END IF
|
||||
!
|
||||
inquire(1, opened = in_open )
|
||||
inquire(2, opened = out_open )
|
||||
!
|
||||
! initialization of randomumber generator
|
||||
!
|
||||
iseed = 1234567
|
||||
!
|
||||
! Get eventually other values from the iput file
|
||||
!
|
||||
111 IF (in_open) THEN
|
||||
!
|
||||
! Read everything from the input file, one line per calculation
|
||||
!
|
||||
ifile = ifile + 1 ! increase outputfile number
|
||||
rewind(9)
|
||||
write(9,*) ifile ! store for next program
|
||||
write(file_index,'(''_'',i3)') ifile ! generate file_name
|
||||
DO j = 2, 4
|
||||
IF (file_index(j:j) .EQ. ' ' ) file_index(j:j) = '0'
|
||||
END DO
|
||||
!
|
||||
|
||||
open(3,file=calculation(1:l_calc)//file_index//'.g_t',status='unknown',action='write')
|
||||
open(4,file=calculation(1:l_calc)//file_index//'.his',status='unknown',action='write')
|
||||
!
|
||||
inquire(3, opened = g_t_open )
|
||||
inquire(4, opened = his_open )
|
||||
!
|
||||
112 read(1,'(a80)',end=999) line
|
||||
IF ( ( line(1:1) .GE. 'a' .AND. line(1:1) .LE. 'z' ) .OR. &
|
||||
& ( line(1:1) .GE. 'A' .AND. line(1:1) .LE. 'Z' ) ) THEN
|
||||
l = index( line, ' ') - 1
|
||||
write(6,*) line(1:l)
|
||||
open(7,file=line(1:l)//'.sgl',status='old', &
|
||||
& access='direct',form='binary',recl=40,action='read',err=998)
|
||||
read(line(l+1:80),*,err=998,end=999) n_site, theta, phi, depth1, depth2
|
||||
ELSE
|
||||
IF ( line(1:1) .EQ. '!' ) THEN
|
||||
write(2,'(a)') line
|
||||
GOTO 112
|
||||
ELSE
|
||||
read(line,*,err=998,end=999) a, moment, b_ext, d, w, concentration, &
|
||||
& n_site, theta, phi, depth1, depth2, anisotropy
|
||||
END IF
|
||||
END IF
|
||||
!
|
||||
! Initialize randomnumber generator "randomly"
|
||||
!
|
||||
call date_and_time( dddd, tttt, zone, dt )
|
||||
DO i = 1, dt(8) ! number milliseconds on the clock
|
||||
dummy = rand(iseed)
|
||||
END DO
|
||||
!
|
||||
ELSE
|
||||
!
|
||||
! put standard values in the case of on-line calculation
|
||||
! for the lattice (4 nm), moment (2 uB), external field (0,0,0) and
|
||||
! initial_muon_spin in y-direction
|
||||
!
|
||||
!
|
||||
a = 0.4 ! Assume 0.4 nanometer
|
||||
moment = 2.0 ! Assume 2 Bohrmagneton per spin
|
||||
b_ext = 0.0 ! No external field
|
||||
emu = 0.0
|
||||
emu(2) = 1.0 ! initial muon direction along y-axis
|
||||
!
|
||||
!
|
||||
! Ask size of the system
|
||||
!
|
||||
3 write(6,4)
|
||||
4 format( ' What thickness [nm] (0=stop) ? '\)
|
||||
read(5,*,err=3) d
|
||||
IF ( d .LT. 0.0 ) GOTO 3
|
||||
IF ( d .EQ. 0.0 ) THEN
|
||||
Write(6,*) ' '
|
||||
STOP ' program terminated by operator'
|
||||
END IF
|
||||
!
|
||||
5 write(6,6)
|
||||
6 format( ' What width [nm] ? '\)
|
||||
read(5,*,err=5) w
|
||||
IF ( w .LE. 0.0 ) GOTO 5
|
||||
depth1 = 0.0
|
||||
depth2 = w
|
||||
!
|
||||
7 write(6,8)
|
||||
8 format( ' Which concentration [at.%] ? '\)
|
||||
read(5,*,err=7) concentration
|
||||
IF ( concentration .LE. 0.0 ) GOTO 7
|
||||
!
|
||||
! Ask for the anisotropy.
|
||||
! The random value of the direction cosin in the x-direction is multiplied
|
||||
! by anisotropy before normalization
|
||||
!
|
||||
9 write(6,10)
|
||||
10 format( ' The random value of the direction cosin in the x-direction'/ &
|
||||
& ' is multiplied by anisotropy before normalization'/ &
|
||||
& ' Anisotropy [isotrope == 1] ? '\)
|
||||
read(5,*,err=9) anisotropy
|
||||
!
|
||||
20 write(6,21)
|
||||
21 format( ' Give value of the external field (x=perp to film,'/ &
|
||||
& ' y=initial_muon > '\)
|
||||
read(5,*,err=20) b_ext
|
||||
!
|
||||
END IF ! end reading from input file / keyboard
|
||||
!
|
||||
!----------------------------------------------------------------------------------------
|
||||
! Start calculation
|
||||
!----------------------------------------------------------------------------------------
|
||||
call date_and_time( dddd, tttt, zone, dt )
|
||||
!
|
||||
! If a spinglass has been simulated by MAKE SPINGLASS, then
|
||||
! the <calculation>.sgl file will be read, ELSE a random
|
||||
! glass will be generated here.
|
||||
!
|
||||
inquire(7, opened = sgl_open )
|
||||
!
|
||||
IF ( sgl_open ) THEN ! spin glass has been made
|
||||
read(7,rec=1) n,m,nspin,a,moment,T_glass
|
||||
read(7,rec=2) concentration,b_ext,steps_per_spin
|
||||
DO ispin = 1, nspin
|
||||
read(7,rec=ispin+2) s(ispin)
|
||||
END DO
|
||||
close(7)
|
||||
!
|
||||
ELSE ! spin glass has NOT been made
|
||||
!
|
||||
c = concentration / 100.0
|
||||
!
|
||||
! Calculate the 'rounded' number of spins for a lattice n*m*m for
|
||||
! the given concentration.
|
||||
! n is the number of atoms (half unitcells) perpendicular
|
||||
! to the layer (== x-direction).
|
||||
! m is the size of the layer in the y- ad z-direction
|
||||
!
|
||||
n = floor(2.0 * d / a ) + 2
|
||||
m = floor(2.0 * w / a ) + 2
|
||||
nat = m * m * n / 2
|
||||
nspin = floor( nat * c )
|
||||
!
|
||||
IF (nspin .GE. max_spins ) THEN
|
||||
Write(6,*) ' '
|
||||
Write(6,*) ' Too many spins: ', nspin
|
||||
IF ( out_open ) Write(2,*) ' Too many spins: ', nspin
|
||||
GOTO 111
|
||||
END IF
|
||||
!
|
||||
! Place the spins randomly on the fcc-lattice
|
||||
! Run over a whole simple cubic lattice in steps
|
||||
! of half of the fcc-unitcell.
|
||||
! Then take care of the fcc-structure and
|
||||
! decide whether or not to place a spin.
|
||||
!
|
||||
nspin = 0
|
||||
!
|
||||
DO j = 0, n-1
|
||||
DO k = 0, m-1
|
||||
DO l = 0, m-1
|
||||
IF ( mod(j+k+l,2) .EQ. 0 ) THEN ! This takes care of the fcc structure.
|
||||
IF ( ran(iseed) .LT. c ) THEN
|
||||
nspin = nspin + 1
|
||||
s(nspin).x = j
|
||||
s(nspin).y = k
|
||||
s(nspin).z = l
|
||||
|
||||
IF (anisotropy .GE. 0.0 ) THEN
|
||||
!
|
||||
! Give the spin an arbitrary direction
|
||||
!
|
||||
DO i = 1, 3
|
||||
h(i) = 2.0D+00 * ran(iseed) - 1.0D+00
|
||||
END DO
|
||||
!
|
||||
! The anisotropy is taken care off by
|
||||
! multiplying the direction cosine in
|
||||
! the x-direction with ANOSOTROPY
|
||||
! before normalizing the direction cosines.
|
||||
!
|
||||
h(1) = anisotropy * h(1)
|
||||
norm = sum( h * h )
|
||||
h = h / sqrt( norm )
|
||||
ELSE
|
||||
h = 0.0
|
||||
h(-int(anisotropy)) = 1.0
|
||||
END IF
|
||||
|
||||
s(nspin).dir = h
|
||||
!
|
||||
END IF
|
||||
END IF
|
||||
END DO
|
||||
END DO
|
||||
END DO
|
||||
!
|
||||
! The sample has been grown now.
|
||||
!
|
||||
Write(6,*) ' '
|
||||
Write(6,*) 'The sample has been grown, calculation can start'
|
||||
Write(6,*) ' '
|
||||
!
|
||||
END IF ! Of reading ,calculation>.sgl or
|
||||
! growing magnetic structure
|
||||
!
|
||||
! Now start the serious work.
|
||||
!
|
||||
! Use half of the lattice parameter as unit of length
|
||||
!
|
||||
ah = a / 2.0
|
||||
!
|
||||
! help for periodic boundary conditions
|
||||
!
|
||||
mh = m / 2
|
||||
!
|
||||
! the maximum distance squared in units of ah:
|
||||
!
|
||||
radiussq = radius * radius / ( ah * ah )
|
||||
!
|
||||
! Calculate factor to translate to the correct dimensions.
|
||||
!
|
||||
! factor is ( mu_o / 4 Pi ) * moment * mu_B / ( ah^3 )
|
||||
! -- ALL in MKS units --
|
||||
! so that the "field" can be calculated as
|
||||
! 1/r^5 ( 3 * (s.dir *** r) * r - r^2 s.dir ),
|
||||
! where s.dir is the unit vector to the direction of the magnetic moment,
|
||||
! and *** stands for the dot-product.
|
||||
!
|
||||
factor = 1D-07 * moment * 9.2740019D-24 / ( ah*ah*ah * 1D-27 )
|
||||
!
|
||||
! see where the muons should go
|
||||
!
|
||||
nd1 = floor( depth1 / ah )
|
||||
nd2 = floor( depth2 / ah )
|
||||
IF ( mod( nd1 , 2 ) .EQ. 0 ) nd1 = nd1 + 1 ! nd1 should be odd
|
||||
IF ( nd2 .LT. nd1 + 1 ) nd2 = nd1 + 1
|
||||
!
|
||||
! calculate unit vector along the initial muon-spin direction
|
||||
!
|
||||
emu(1) = sin( twpi * theta / 360.0 ) * cos( twpi * phi / 360.0)
|
||||
emu(2) = sin( twpi * theta / 360.0 ) * sin( twpi * phi / 360.0)
|
||||
emu(3) = cos( twpi * theta / 360.0 )
|
||||
!
|
||||
! Ask the number of sites to calculated, about 10,000 is reasonable
|
||||
!
|
||||
IF ( .NOT. in_open ) THEN ! read keyboard if no input file
|
||||
!
|
||||
write(6,*) ' total number of muon-sites :', (m-1)*(m-1)*(nd2-nd1+1) / 8
|
||||
write(6,*) ' '
|
||||
11 write(6,12)
|
||||
12 format(' Give number of sites to be calculated > ' $)
|
||||
read(5,*,err=11) n_site
|
||||
!
|
||||
END IF ! of reading keyboard
|
||||
!
|
||||
fraction = dble( float(n_site) / float( (m-1)*(m-1)*(nd2-nd1+1)/8 ))
|
||||
!
|
||||
! make some space
|
||||
!
|
||||
Write(6,*) ' '
|
||||
Write(6,*) ' '
|
||||
!
|
||||
start_time = dtime(runtime) ! record the starttime
|
||||
!
|
||||
! Initialize the averages
|
||||
!
|
||||
ib = 0 ! index of field calculation
|
||||
aver_b = 0 ! average of the field
|
||||
sigma_b = 0 ! average of the field squared
|
||||
hist = 0 ! histograms
|
||||
g_t = 0.0 ! initialize the line
|
||||
!
|
||||
! Assume the muon to be in the center of the fcc-cube
|
||||
!
|
||||
DO j = nd1, nd2, 2
|
||||
DO k = 1, m-1, 2
|
||||
DO l = 1, m-1, 2
|
||||
!
|
||||
! These do-loops run over all sites, which is probably too much (time consuming)
|
||||
! Therefore select randomly sufficient (see above) fraction of
|
||||
! the possible muon sites and calculate the dipolar field.
|
||||
!
|
||||
IF ( ran(iseed) .LT. fraction ) THEN
|
||||
!
|
||||
! Calculate the field by running over all spins.
|
||||
! In calculating the mutual distance, periodic boundaryconditions are applied
|
||||
! in the y- and z-direction, but NOT in the x-direction, since that is supposed
|
||||
! perpendicular to the film
|
||||
!
|
||||
! The field is only calculated when the distance is smaller then radius
|
||||
!
|
||||
b = 0
|
||||
!
|
||||
DO i = 1, nspin
|
||||
r(1) = dble(float(j-s(i).x))
|
||||
kd = k - s(i).y
|
||||
IF ( kd .LT. -mh ) kd = kd + m ! periodic boundary condition
|
||||
IF ( kd .GT. mh ) kd = kd - m ! periodic boundary condition
|
||||
r(2) = dble(float(kd))
|
||||
ld = l - s(i).z
|
||||
IF ( ld .LT. -mh ) ld = ld + m ! periodic boundary condition
|
||||
IF ( ld .GT. mh ) ld = ld - m ! periodic boundary condition
|
||||
r(3) = dble(float(ld))
|
||||
r_2 = sum( r * r )
|
||||
!
|
||||
IF ( r_2 .LE. radiussq ) THEN ! skip calculation if distance is too large
|
||||
help = sqrt( r_2 )
|
||||
r_3 = r_2 * help
|
||||
r_5 = r_2 * r_3
|
||||
h = s(i).dir
|
||||
p_r = sum( h * r )
|
||||
b = b + ( 3.0D+00 * p_r * r - r_2 * h ) / r_5
|
||||
END IF
|
||||
!
|
||||
END DO
|
||||
!
|
||||
ib = ib + 1 ! count the sites calculated.
|
||||
b = factor * b ! get correct dimensions
|
||||
aver_b = aver_b + b ! add the field to the averages
|
||||
sigma_b = sigma_b + b*b
|
||||
!
|
||||
!
|
||||
! Count for histograms
|
||||
!
|
||||
DO ih = 1, 3
|
||||
ival = int( float(mrange) * b(ih) / range + 0.5D+00 )
|
||||
IF ( abs(ival) .LE. mrange ) ihist(ih,ival) = ihist(ih,ival) + 1
|
||||
END DO
|
||||
!
|
||||
b = b + b_ext ! add external field
|
||||
b_sq = sum( b * b ) ! square of the field
|
||||
b_abs = sqrt( b_sq ) ! absolute value
|
||||
eb = b / b_abs ! unit vector
|
||||
omega = gyro * twpi * b_abs ! precession frequency
|
||||
!
|
||||
! Calculate the rotation of the muonspin for 1000 time-steps.
|
||||
! The contribution to the asymmetry equals the components of the temporal
|
||||
! muonspin, assuming the counters to be forward-backward, left-right ,and up-down,
|
||||
! respectively.
|
||||
!
|
||||
DO it = 0, 999
|
||||
t = 1.0D-02 * dble(float(it))
|
||||
cc = cos( omega * t )
|
||||
ss = sin( omega * t )
|
||||
!
|
||||
g_t(1,it) = g_t(1,it) + &
|
||||
& ( cc+eb(1)*eb(1)*(1-cc)) * emu(1) + &
|
||||
& ( -eb(3)*ss+eb(1)*eb(2)*(1-cc)) * emu(2) + &
|
||||
& ( eb(2)*ss+eb(1)*eb(3)*(1-cc)) * emu(3)
|
||||
!
|
||||
g_t(2,it) = g_t(2,it) + &
|
||||
& ( eb(3)*ss+eb(1)*eb(2)*(1-cc)) * emu(1) + &
|
||||
& ( cc+eb(2)*eb(2)*(1-cc)) * emu(2) + &
|
||||
& ( -eb(1)*ss+eb(2)*eb(3)*(1-cc)) * emu(3)
|
||||
!
|
||||
g_t(3,it) = g_t(3,it) + &
|
||||
& ( -eb(2)*ss+eb(1)*eb(3)*(1-cc)) * emu(1) + &
|
||||
& ( eb(1)*ss+eb(2)*eb(3)*(1-cc)) * emu(2) + &
|
||||
& ( cc+eb(3)*eb(3)*(1-cc)) * emu(3)
|
||||
!
|
||||
END DO
|
||||
!
|
||||
IF ( mod(ib,1000) .EQ. 0 ) idummy = putc('#')
|
||||
!
|
||||
END IF ! decision on fraction of muon sites
|
||||
END DO
|
||||
END DO
|
||||
END DO ! l, k, j loops
|
||||
!
|
||||
! Average over all calculaled sites.
|
||||
!
|
||||
norm = dble( float(ib))
|
||||
aver_b = aver_b / norm
|
||||
sigma_b = sqrt( (sigma_b - aver_b * aver_b ) / norm )
|
||||
delta = gyro * sigma_b
|
||||
g_t = g_t / norm
|
||||
!
|
||||
! Renormalize histograms
|
||||
!
|
||||
IF ( his_open ) THEN ! Should the histogram be calculated ??
|
||||
Write(4,*) '-------------------------------------------------------'
|
||||
!
|
||||
! Check whether the maximum calculated field exceeds the range
|
||||
!
|
||||
IF ( ihist(1,-mrange) .EQ. 0 .AND. ihist(1,mrange) .EQ. 0 .AND. &
|
||||
& ihist(2,-mrange) .EQ. 0 .AND. ihist(2,mrange) .EQ. 0 .AND. &
|
||||
& ihist(3,-mrange) .EQ. 0 .AND. ihist(3,mrange) .EQ. 0 ) THEN
|
||||
!
|
||||
! determine the range of fields found
|
||||
!
|
||||
DO j = 1, 3
|
||||
DO k = -mrange, mrange
|
||||
IF ( ihist(j, k) .GT. 0 ) maxfield = k
|
||||
IF ( ihist(j,-k) .GT. 0 ) minfield = -k
|
||||
END DO
|
||||
!
|
||||
! adjust binning of histogram and write values
|
||||
!
|
||||
ibin = (maxfield - minfield) / nrange + 1
|
||||
x = float(minfield) * range / float(mrange)
|
||||
step = range * float(ibin) / float(mrange)
|
||||
!
|
||||
write(6,*) ' The field histogram vaues are: '
|
||||
write(6,*) minfield, maxfield, ibin, x, step
|
||||
!
|
||||
DO i = minfield, maxfield, ibin
|
||||
ihis = 0
|
||||
DO k = 0, ibin-1
|
||||
ihis = ihis + ihist(j,i+k)
|
||||
END DO
|
||||
his = float(ihis) / norm
|
||||
Write(4,'(2E16.6)') x, his
|
||||
x = x + step
|
||||
END DO
|
||||
!
|
||||
Write(4,*) ' '
|
||||
END DO
|
||||
!
|
||||
ELSE
|
||||
Write(4,*) ' Fields exceed the maximum field for histogram calculation '
|
||||
END IF
|
||||
END IF ! Histogram calculation
|
||||
!
|
||||
end_time = dtime(runtime)
|
||||
!
|
||||
write(6,*) ' '
|
||||
write(2,100) comment(1:73),(dt(j),j=1,3),(dt(j),j=5,8)
|
||||
write(6,101) n*ah, m*ah
|
||||
write(6,301) nd1*ah, nd2*ah
|
||||
write(6,102) concentration
|
||||
write(6,103) anisotropy, int(-anisotropy)
|
||||
write(6,104) n_site
|
||||
write(6,304) theta, phi
|
||||
write(6,105) nspin
|
||||
write(6,106) aver_b
|
||||
write(6,107) sigma_b
|
||||
write(6,108) delta
|
||||
write(6,308) b_ext
|
||||
write(6,109) end_time - start_time
|
||||
!
|
||||
! Look whether data have to be written to file
|
||||
!
|
||||
IF ( out_open ) THEN
|
||||
write(2,100) comment(1:73),(dt(j),j=1,3),(dt(j),j=5,8)
|
||||
write(2,101) n*ah, m*ah
|
||||
write(2,301) nd1*ah, nd2*ah
|
||||
write(2,102) concentration
|
||||
write(2,103) anisotropy, int(-anisotropy)
|
||||
write(2,104) n_site
|
||||
write(2,304) theta, phi
|
||||
write(2,105) nspin
|
||||
write(2,106) aver_b
|
||||
write(2,107) sigma_b
|
||||
write(2,108) delta
|
||||
write(2,308) b_ext
|
||||
write(2,109) end_time - start_time
|
||||
END IF
|
||||
!
|
||||
100 format(' '/' ',73('-')/' ',a73/' ',73('-')/ &
|
||||
& ' Calculation started ',i5,'-',i2,'-',i2, &
|
||||
& ' at ',2(i2,':'),i2,'.',i3/' ',73('-')/' ')
|
||||
101 format(' sample = ', F6.1, ' nanometer thick, and ', F6.1, ' nanometer wide.')
|
||||
102 format(' concentration = ', F12.1, ' at. %')
|
||||
103 format(' anisotropy = ', E12.3,' (int) ',I2)
|
||||
104 format(' number of muons = ', I12)
|
||||
105 format(' number of spins = ', I12)
|
||||
106 format(' average field = ', 3E12.3,' tesla')
|
||||
107 format(' second moment = ', 3E12.3,' tesla')
|
||||
108 format(' corres. delta = ', 3E12.3,' 1/microseconde')
|
||||
109 format(' cpu_time = ', E12.3, ' seconds')
|
||||
308 format(' ext. field = ', 3E12.3,' tesla')
|
||||
301 format(' penetration from = ', F6.1,' to ',F6.1' nanometer.')
|
||||
304 format(' initial muon spin, theta = ',f6.2,' phi = ', f6.2)
|
||||
!
|
||||
! Write G(t) if the file is open
|
||||
!
|
||||
500 IF ( g_t_open ) THEN
|
||||
!
|
||||
DO k = 0, 999
|
||||
write(3,'(3E20.6)') (g_t(id,k),id=1,3) ! output
|
||||
END DO
|
||||
!
|
||||
END IF
|
||||
!
|
||||
! Go back to read new parameters
|
||||
!
|
||||
GOTO 111
|
||||
!
|
||||
! On error in input_file
|
||||
!
|
||||
998 Write(6,*) ' '
|
||||
Write(6,*) ' There is an error in the input file. '
|
||||
IF ( out_open ) Write(2,*) ' There is an error in the input file. '
|
||||
!
|
||||
999 IF ( in_open ) close(1)
|
||||
IF ( out_open ) close(2)
|
||||
IF ( g_t_open ) close(3)
|
||||
IF ( his_open ) close(4)
|
||||
END
|
||||
!
|
||||
! End of program
|
||||
!-------------------------------------------------------------------------------------------
|
||||
!
|
||||
! Functions and Subroutines
|
||||
!
|
||||
!-------------------------------------------------------------------------------------------
|
||||
real*8 FUNCTION length( v )
|
||||
real*8 v(3)
|
||||
length = sqrt( sum( v * v ) )
|
||||
RETURN
|
||||
END
|
||||
!
|
||||
real*8 FUNCTION scalar_product( v, w )
|
||||
real*8 v(3), w(3)
|
||||
scalar_product = sum( v * w )
|
||||
RETURN
|
||||
END
|
||||
!
|
||||
real*8 FUNCTION length_vector_product( v, w )
|
||||
real*8 v(3), w(3), vp(3), length
|
||||
call vector_product( vp, v, w )
|
||||
length_vector_product = length( vp )
|
||||
RETURN
|
||||
END
|
||||
!
|
||||
SUBROUTINE vector_product( vp, v, w )
|
||||
real*8 v(3), w(3), vp(3)
|
||||
vp(1) = v(2) * w(3) - v(3) * w(2)
|
||||
vp(2) = v(3) * w(1) - v(1) * w(3)
|
||||
vp(3) = v(1) * w(2) - v(2) * w(1)
|
||||
RETURN
|
||||
END
|
||||
716
thinfilm/field_calculation_GaAs.f90
Executable file
716
thinfilm/field_calculation_GaAs.f90
Executable file
@ -0,0 +1,716 @@
|
||||
! Program to calculate dipolar fields in spinglasses,
|
||||
! their distribution and the depolarization of the muon
|
||||
!
|
||||
! Ge Nieuwenhuys, March, September, October 2005
|
||||
!
|
||||
! October 12: periodic boundary conditions in y- z plane
|
||||
! October 14: random number start randomly (based on clock) for
|
||||
! batch calculations.
|
||||
! October 14: output-file-names are automatically indexed.
|
||||
! October 17: oversized the recordlength of the direct-accessfile for
|
||||
! unknown, but apparently essential reasons.
|
||||
!
|
||||
! Spins are located on a fcc lattice
|
||||
!
|
||||
! nspin number of spins
|
||||
! nsp number of spins asked
|
||||
! d thickness
|
||||
! a lattice constant
|
||||
! ah half of lattice constant
|
||||
!
|
||||
Use DFPORT ! library only needed for obtaining CPU-time
|
||||
Use DFLIB
|
||||
!
|
||||
! Structure to store the position (as lattice site-indexes)
|
||||
! and the direction-cosines of each spin.
|
||||
!
|
||||
structure /spin/
|
||||
integer*4 x,y,z
|
||||
real*8 dir(3)
|
||||
end structure
|
||||
!
|
||||
! Declarations, maximumnumber of spins: max_spins, maxd is the maximum number of
|
||||
! unitcell-distance for which the spin in included in the calculation
|
||||
!
|
||||
parameter( max_spins = 3000000, & ! maximum number of magnetic moments
|
||||
& gyro = 135.5, & ! gyromagnetic ratio of muon
|
||||
& twpi = 6.2831, & ! two times Pi
|
||||
& radius = 2.0, & ! maxinum distance [nm] for
|
||||
! the dipole-field will be calculated
|
||||
& range = 10.0, & ! maximum absolute value of the field expected
|
||||
& mrange = 4000, & ! range of the integer histograms
|
||||
& nrange = 80 ) ! range of the normalized histograms
|
||||
!
|
||||
character*10 dddd, tttt, zone
|
||||
character*4 file_index
|
||||
integer*4 dt(8), ifile, l_calc, bond
|
||||
character*80 comment, calculation, line
|
||||
logical in_open, out_open, g_t_open, his_open, sgl, sgl_open
|
||||
integer*4 j,k,l,m,n, nsp, nspin, nat, id, ihist(3,-mrange:mrange)
|
||||
integer*4 iseed, maxfield, minfield, ihis, ibin, nd1, nd2, kd, ld, mh
|
||||
record /spin/ s(max_spins)
|
||||
real*8 d, concentration, c, dd(max_spins), w, depth1, depth2
|
||||
real*8 px(max_spins),py(max_spins), pz(max_spins)
|
||||
real*8 b(3), factor, moment, help, r_3, r_5, r(3), p_r, sq_3, h(3)
|
||||
real*8 fraction, norm, aver_b(3), sigma_b(3), delta(3), anisotropy, b_ext(3)
|
||||
real*8 g_t(3,0:999), omega, b_abs, b_sq, ca_sq, his, radiussq
|
||||
real*4 runtime(2), start_time, end_time
|
||||
real*8 eb(3), emu(3), cc, ss, theta, phi
|
||||
!
|
||||
real*8 gaas(16,3)
|
||||
!
|
||||
! Coordinates of bond sites
|
||||
!
|
||||
gaas(1,1) = 1
|
||||
gaas(1,2) = 1
|
||||
gaas(1,3) = 7
|
||||
|
||||
gaas(2,1) = 3
|
||||
gaas(2,2) = 3
|
||||
gaas(2,3) = 7
|
||||
|
||||
gaas(3,1) = 1
|
||||
gaas(3,2) = 3
|
||||
gaas(3,3) = 5
|
||||
|
||||
gaas(4,1) = 3
|
||||
gaas(4,2) = 1
|
||||
gaas(4,3) = 5
|
||||
|
||||
gaas(5,1) = 7
|
||||
gaas(5,2) = 7
|
||||
gaas(5,3) = 7
|
||||
|
||||
gaas(6,1) = 5
|
||||
gaas(6,2) = 5
|
||||
gaas(6,3) = 7
|
||||
|
||||
gaas(7,1) = 7
|
||||
gaas(7,2) = 5
|
||||
gaas(7,3) = 5
|
||||
|
||||
gaas(8,1) = 5
|
||||
gaas(8,2) = 7
|
||||
gaas(8,3) = 5
|
||||
|
||||
gaas(9,1) = 3
|
||||
gaas(9,2) = 7
|
||||
gaas(9,3) = 3
|
||||
|
||||
gaas(10,1) = 1
|
||||
gaas(10,2) = 5
|
||||
gaas(10,3) = 3
|
||||
|
||||
gaas(11,1) = 1
|
||||
gaas(11,2) = 7
|
||||
gaas(11,3) = 1
|
||||
|
||||
gaas(12,1) = 3
|
||||
gaas(12,2) = 5
|
||||
gaas(12,3) = 1
|
||||
|
||||
gaas(13,1) = 7
|
||||
gaas(13,2) = 3
|
||||
gaas(13,3) = 3
|
||||
|
||||
gaas(14,1) = 5
|
||||
gaas(14,2) = 1
|
||||
gaas(14,3) = 3
|
||||
|
||||
gaas(15,1) = 7
|
||||
gaas(15,2) = 1
|
||||
gaas(15,3) = 1
|
||||
|
||||
gaas(16,1) = 5
|
||||
gaas(16,2) = 3
|
||||
gaas(16,3) = 1
|
||||
!
|
||||
gaas = gaas / 4.0 ! concert to units of half lattice constant
|
||||
!
|
||||
Write(6,*) ' '
|
||||
Write(6,*) ' ---------------------------------------------------------------------'
|
||||
Write(6,*) ' | Program field-calculation of muons due to random static spins |'
|
||||
Write(6,*) ' | Version of October 31, 2005 |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | Input can also be read from an input file that should be named |'
|
||||
Write(6,*) ' | <calculation>.inp and contain: |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | ext. field(3) ,thickness, width, c, number_of_muons, |'
|
||||
Write(6,*) ' | lattice-constant [nm], magnetic moment [mu_B], |'
|
||||
Write(6,*) ' | initial-muon-direction(theta, phi)[degrees], |'
|
||||
Write(6,*) ' | (muon-positions from) depth1, (to) depth2 [nm], |'
|
||||
Write(6,*) ' | anisotropy [isotropic=1, planar <1, axial >1 |'
|
||||
Write(6,*) ' | (neg: ferromagnetic along the |'
|
||||
Write(6,*) ' | x - axis (anisotropy = -1.0) |'
|
||||
Write(6,*) ' | y - axis (anisotropy = -2.0) |'
|
||||
Write(6,*) ' | z - axis (anisotropy = -3.0) |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | O R |'
|
||||
Write(6,*) ' | |'
|
||||
Write(6,*) ' | name of the <spin-glass>.sgl file produced by |'
|
||||
Write(6,*) ' | MAKE SPINGLASS (starting on the first position), |'
|
||||
Write(6,*) ' | number_of_muons, |'
|
||||
Write(6,*) ' | initial-muon-direction(theta, phi)[degrees], |'
|
||||
Write(6,*) ' | (muon-positions from) depth1, (to) depth2 [nm], |'
|
||||
Write(6,*) ' | |'
|
||||
write(6,*) ' | Lines starting with ! (first position) are treated as comments. |'
|
||||
Write(6,*) ' | <calculation> can be issued as a commandline parameter |'
|
||||
Write(6,*) ' ---------------------------------------------------------------------'
|
||||
!
|
||||
! files :
|
||||
!
|
||||
open(9,file='\simulations\counter.his',status='old')
|
||||
read(9,*) ifile ! initialize outputfile counter
|
||||
!
|
||||
! write(6,*) ' iargc = ', iargc()
|
||||
IF ( iargc() .GT. 0 ) THEN
|
||||
call getarg(1, calculation)
|
||||
Write(6,*) ' Calculation taken from commandline > ',calculation
|
||||
ELSE
|
||||
200 write(6,201)
|
||||
201 format(' '/' Give name of the calculation > ', \)
|
||||
read(5,'(a60)') calculation
|
||||
END IF
|
||||
!
|
||||
l_calc = index( calculation, ' ') - 1
|
||||
!
|
||||
IF ( l_calc .GT. 0 ) THEN
|
||||
open(1,file=calculation(1:l_calc)//'.inp',status='old',action='read',err=200 )
|
||||
open(2,file=calculation(1:l_calc)//'.out',status='unknown',action='write')
|
||||
!
|
||||
|
||||
END IF
|
||||
!
|
||||
inquire(1, opened = in_open )
|
||||
inquire(2, opened = out_open )
|
||||
!
|
||||
! initialization of randomumber generator
|
||||
!
|
||||
iseed = 1234567
|
||||
!
|
||||
! Get eventually other values from the iput file
|
||||
!
|
||||
111 IF (in_open) THEN
|
||||
!
|
||||
! Read everything from the input file, one line per calculation
|
||||
!
|
||||
ifile = ifile + 1 ! increase outputfile number
|
||||
rewind(9)
|
||||
write(9,*) ifile ! store for next program
|
||||
write(file_index,'(''_'',i3)') ifile ! generate file_name
|
||||
DO j = 2, 4
|
||||
IF (file_index(j:j) .EQ. ' ' ) file_index(j:j) = '0'
|
||||
END DO
|
||||
!
|
||||
|
||||
open(3,file=calculation(1:l_calc)//file_index//'.g_t',status='unknown',action='write')
|
||||
open(4,file=calculation(1:l_calc)//file_index//'.his',status='unknown',action='write')
|
||||
!
|
||||
inquire(3, opened = g_t_open )
|
||||
inquire(4, opened = his_open )
|
||||
!
|
||||
112 read(1,'(a80)',end=999) line
|
||||
IF ( ( line(1:1) .GE. 'a' .AND. line(1:1) .LE. 'z' ) .OR. &
|
||||
& ( line(1:1) .GE. 'A' .AND. line(1:1) .LE. 'Z' ) ) THEN
|
||||
l = index( line, ' ') - 1
|
||||
write(6,*) line(1:l)
|
||||
open(7,file=line(1:l)//'.sgl',status='old', &
|
||||
& access='direct',form='binary',recl=40,action='read',err=998)
|
||||
read(line(l+1:80),*,err=998,end=999) n_site, theta, phi, depth1, depth2
|
||||
ELSE
|
||||
IF ( line(1:1) .EQ. '!' ) THEN
|
||||
write(2,'(a)') line
|
||||
GOTO 112
|
||||
ELSE
|
||||
read(line,*,err=998,end=999) a, moment, b_ext, d, w, concentration, &
|
||||
& n_site, theta, phi, depth1, depth2, anisotropy
|
||||
END IF
|
||||
END IF
|
||||
!
|
||||
! Initialize randomnumber generator "randomly"
|
||||
!
|
||||
call date_and_time( dddd, tttt, zone, dt )
|
||||
DO i = 1, dt(8) ! number milliseconds on the clock
|
||||
dummy = rand(iseed)
|
||||
END DO
|
||||
!
|
||||
ELSE
|
||||
!
|
||||
! put standard values in the case of on-line calculation
|
||||
! for the lattice (4 nm), moment (2 uB), external field (0,0,0) and
|
||||
! initial_muon_spin in y-direction
|
||||
!
|
||||
!
|
||||
a = 0.4 ! Assume 0.4 nanometer
|
||||
moment = 2.0 ! Assume 2 Bohrmagneton per spin
|
||||
b_ext = 0.0 ! No external field
|
||||
emu = 0.0
|
||||
emu(2) = 1.0 ! initial muon direction along y-axis
|
||||
!
|
||||
!
|
||||
! Ask size of the system
|
||||
!
|
||||
3 write(6,4)
|
||||
4 format( ' What thickness [nm] (0=stop) ? '\)
|
||||
read(5,*,err=3) d
|
||||
IF ( d .LT. 0.0 ) GOTO 3
|
||||
IF ( d .EQ. 0.0 ) THEN
|
||||
Write(6,*) ' '
|
||||
STOP ' program terminated by operator'
|
||||
END IF
|
||||
!
|
||||
5 write(6,6)
|
||||
6 format( ' What width [nm] ? '\)
|
||||
read(5,*,err=5) w
|
||||
IF ( w .LE. 0.0 ) GOTO 5
|
||||
depth1 = 0.0
|
||||
depth2 = w
|
||||
!
|
||||
7 write(6,8)
|
||||
8 format( ' Which concentration [at.%] ? '\)
|
||||
read(5,*,err=7) concentration
|
||||
IF ( concentration .LE. 0.0 ) GOTO 7
|
||||
!
|
||||
! Ask for the anisotropy.
|
||||
! The random value of the direction cosin in the x-direction is multiplied
|
||||
! by anisotropy before normalization
|
||||
!
|
||||
9 write(6,10)
|
||||
10 format( ' The random value of the direction cosin in the x-direction'/ &
|
||||
& ' is multiplied by anisotropy before normalization'/ &
|
||||
& ' Anisotropy [isotrope == 1] ? '\)
|
||||
read(5,*,err=9) anisotropy
|
||||
!
|
||||
20 write(6,21)
|
||||
21 format( ' Give value of the external field (x=perp to film,'/ &
|
||||
& ' y=initial_muon > '\)
|
||||
read(5,*,err=20) b_ext
|
||||
!
|
||||
END IF ! end reading from input file / keyboard
|
||||
!
|
||||
!----------------------------------------------------------------------------------------
|
||||
! Start calculation
|
||||
!----------------------------------------------------------------------------------------
|
||||
call date_and_time( dddd, tttt, zone, dt )
|
||||
!
|
||||
! If a spinglass has been simulated by MAKE SPINGLASS, then
|
||||
! the <calculation>.sgl file will be read, ELSE a random
|
||||
! glass will be generated here.
|
||||
!
|
||||
inquire(7, opened = sgl_open )
|
||||
!
|
||||
IF ( sgl_open ) THEN ! spin glass has been made
|
||||
read(7,rec=1) n,m,nspin,a,moment,T_glass
|
||||
read(7,rec=2) concentration,b_ext,steps_per_spin
|
||||
DO ispin = 1, nspin
|
||||
read(7,rec=ispin+2) s(ispin)
|
||||
END DO
|
||||
close(7)
|
||||
!
|
||||
ELSE ! spin glass has NOT been made
|
||||
!
|
||||
c = concentration / 100.0
|
||||
!
|
||||
! Calculate the 'rounded' number of spins for a lattice n*m*m for
|
||||
! the given concentration.
|
||||
! n is the number of atoms (half unitcells) perpendicular
|
||||
! to the layer (== x-direction).
|
||||
! m is the size of the layer in the y- ad z-direction
|
||||
!
|
||||
n = floor(2.0 * d / a ) + 2
|
||||
m = floor(2.0 * w / a ) + 2
|
||||
nat = m * m * n / 2
|
||||
nspin = floor( nat * c )
|
||||
!
|
||||
IF (nspin .GE. max_spins ) THEN
|
||||
Write(6,*) ' '
|
||||
Write(6,*) ' Too many spins: ', nspin
|
||||
IF ( out_open ) Write(2,*) ' Too many spins: ', nspin
|
||||
GOTO 111
|
||||
END IF
|
||||
!
|
||||
! Place the spins randomly on the fcc-lattice
|
||||
! Run over a whole simple cubic lattice in steps
|
||||
! of half of the fcc-unitcell.
|
||||
! Then take care of the fcc-structure and
|
||||
! decide whether or not to place a spin.
|
||||
!
|
||||
nspin = 0
|
||||
!
|
||||
DO j = 0, n-1
|
||||
DO k = 0, m-1
|
||||
DO l = 0, m-1
|
||||
IF ( mod(j+k+l,2) .EQ. 0 ) THEN ! This takes care of the fcc structure.
|
||||
IF ( ran(iseed) .LT. c ) THEN
|
||||
nspin = nspin + 1
|
||||
s(nspin).x = j
|
||||
s(nspin).y = k
|
||||
s(nspin).z = l
|
||||
|
||||
IF (anisotropy .GE. 0.0 ) THEN
|
||||
!
|
||||
! Give the spin an arbitrary direction
|
||||
!
|
||||
DO i = 1, 3
|
||||
h(i) = 2.0D+00 * ran(iseed) - 1.0D+00
|
||||
END DO
|
||||
!
|
||||
! The anisotropy is taken care off by
|
||||
! multiplying the direction cosine in
|
||||
! the x-direction with ANOSOTROPY
|
||||
! before normalizing the direction cosines.
|
||||
!
|
||||
h(1) = anisotropy * h(1)
|
||||
norm = sum( h * h )
|
||||
h = h / sqrt( norm )
|
||||
ELSE
|
||||
h = 0.0
|
||||
h(-int(anisotropy)) = 1.0
|
||||
END IF
|
||||
|
||||
s(nspin).dir = h
|
||||
!
|
||||
END IF
|
||||
END IF
|
||||
END DO
|
||||
END DO
|
||||
END DO
|
||||
!
|
||||
! The sample has been grown now.
|
||||
!
|
||||
Write(6,*) ' '
|
||||
Write(6,*) 'The sample has been grown, calculation can start'
|
||||
Write(6,*) ' '
|
||||
!
|
||||
END IF ! Of reading ,calculation>.sgl or
|
||||
! growing magnetic structure
|
||||
!
|
||||
! Now start the serious work.
|
||||
!
|
||||
! Use half of the lattice parameter as unit of length
|
||||
!
|
||||
ah = a / 2.0
|
||||
!
|
||||
! help for periodic boundary conditions
|
||||
!
|
||||
mh = m / 2
|
||||
!
|
||||
! the maximum distance squared in units of ah:
|
||||
!
|
||||
radiussq = radius * radius / ( ah * ah )
|
||||
!
|
||||
! Calculate factor to translate to the correct dimensions.
|
||||
!
|
||||
! factor is ( mu_o / 4 Pi ) * moment * mu_B / ( ah^3 )
|
||||
! -- ALL in MKS units --
|
||||
! so that the "field" can be calculated as
|
||||
! 1/r^5 ( 3 * (s.dir *** r) * r - r^2 s.dir ),
|
||||
! where s.dir is the unit vector to the direction of the magnetic moment,
|
||||
! and *** stands for the dot-product.
|
||||
!
|
||||
factor = 1D-07 * moment * 9.2740019D-24 / ( ah*ah*ah * 1D-27 )
|
||||
!
|
||||
! see where the muons should go
|
||||
!
|
||||
nd1 = floor( depth1 / ah )
|
||||
nd2 = floor( depth2 / ah )
|
||||
IF ( mod( nd1 , 2 ) .EQ. 0 ) nd1 = nd1 + 1 ! nd1 should be odd
|
||||
IF ( nd2 .LT. nd1 + 1 ) nd2 = nd1 + 1
|
||||
!
|
||||
! calculate unit vector along the initial muon-spin direction
|
||||
!
|
||||
emu(1) = sin( twpi * theta / 360.0 ) * cos( twpi * phi / 360.0)
|
||||
emu(2) = sin( twpi * theta / 360.0 ) * sin( twpi * phi / 360.0)
|
||||
emu(3) = cos( twpi * theta / 360.0 )
|
||||
!
|
||||
! Ask the number of sites to calculated, about 10,000 is reasonable
|
||||
!
|
||||
IF ( .NOT. in_open ) THEN ! read keyboard if no input file
|
||||
!
|
||||
write(6,*) ' total number of muon-sites :', 2*(m-1)*(m-1)*(nd2-nd1+1)
|
||||
write(6,*) ' '
|
||||
11 write(6,12)
|
||||
12 format(' Give number of sites to be calculated > ' $)
|
||||
read(5,*,err=11) n_site
|
||||
!
|
||||
END IF ! of reading keyboard
|
||||
!
|
||||
fraction = dble( float(n_site) / float( 2*(m-1)*(m-1)*(nd2-nd1+1)))
|
||||
!
|
||||
! make some space
|
||||
!
|
||||
Write(6,*) ' '
|
||||
Write(6,*) ' '
|
||||
!
|
||||
start_time = dtime(runtime) ! record the starttime
|
||||
!
|
||||
! Initialize the averages
|
||||
!
|
||||
ib = 0 ! index of field calculation
|
||||
aver_b = 0 ! average of the field
|
||||
sigma_b = 0 ! average of the field squared
|
||||
hist = 0 ! histograms
|
||||
g_t = 0.0 ! initialize the line
|
||||
!
|
||||
! Assume the muon to be in the center of the fcc-cube
|
||||
!
|
||||
DO j = nd1-1, nd2-1, 2
|
||||
DO k = 0, m-2, 2
|
||||
DO l = 0, m-2, 2
|
||||
DO bond = 1, 16 ! loop over the 16 bonds
|
||||
!
|
||||
! These do-loops run over all sites, which is probably too much (time consuming)
|
||||
! Therefore select randomly sufficient (see above) fraction of
|
||||
! the possible muon sites and calculate the dipolar field.
|
||||
!
|
||||
IF ( ran(iseed) .LT. fraction ) THEN
|
||||
!
|
||||
! Calculate the field by running over all spins.
|
||||
! In calculating the mutual distance, periodic boundaryconditions are applied
|
||||
! in the y- and z-direction, but NOT in the x-direction, since that is supposed
|
||||
! perpendicular to the film
|
||||
!
|
||||
! The field is only calculated when the distance is smaller then radius
|
||||
!
|
||||
b = 0
|
||||
!
|
||||
DO i = 1, nspin
|
||||
r(1) = dble(float(j-s(i).x)) + gaas(bond,1)
|
||||
kd = k - s(i).y
|
||||
IF ( kd .LT. -mh ) kd = kd + m ! periodic boundary condition
|
||||
IF ( kd .GT. mh ) kd = kd - m ! periodic boundary condition
|
||||
r(2) = dble(float(kd)) + gaas(bond,2)
|
||||
ld = l - s(i).z
|
||||
IF ( ld .LT. -mh ) ld = ld + m ! periodic boundary condition
|
||||
IF ( ld .GT. mh ) ld = ld - m ! periodic boundary condition
|
||||
r(3) = dble(float(ld)) + gaas(bond,3)
|
||||
r_2 = sum( r * r )
|
||||
!
|
||||
IF ( r_2 .LE. radiussq ) THEN ! skip calculation if distance is too large
|
||||
help = sqrt( r_2 )
|
||||
r_3 = r_2 * help
|
||||
r_5 = r_2 * r_3
|
||||
h = s(i).dir
|
||||
p_r = sum( h * r )
|
||||
b = b + ( 3.0D+00 * p_r * r - r_2 * h ) / r_5
|
||||
END IF
|
||||
!
|
||||
END DO
|
||||
!
|
||||
ib = ib + 1 ! count the sites calculated.
|
||||
b = factor * b ! get correct dimensions
|
||||
aver_b = aver_b + b ! add the field to the averages
|
||||
sigma_b = sigma_b + b*b
|
||||
!
|
||||
!
|
||||
! Count for histograms
|
||||
!
|
||||
DO ih = 1, 3
|
||||
ival = int( float(mrange) * b(ih) / range + 0.5D+00 )
|
||||
IF ( abs(ival) .LE. mrange ) ihist(ih,ival) = ihist(ih,ival) + 1
|
||||
END DO
|
||||
!
|
||||
b = b + b_ext ! add external field
|
||||
b_sq = sum( b * b ) ! square of the field
|
||||
b_abs = sqrt( b_sq ) ! absolute value
|
||||
eb = b / b_abs ! unit vector
|
||||
omega = gyro * twpi * b_abs ! precession frequency
|
||||
!
|
||||
! Calculate the rotation of the muonspin for 1000 time-steps.
|
||||
! The contribution to the asymmetry equals the components of the temporal
|
||||
! muonspin, assuming the counters to be forward-backward, left-right ,and up-down,
|
||||
! respectively.
|
||||
!
|
||||
DO it = 0, 999
|
||||
t = 1.0D-02 * dble(float(it))
|
||||
cc = cos( omega * t )
|
||||
ss = sin( omega * t )
|
||||
!
|
||||
g_t(1,it) = g_t(1,it) + &
|
||||
& ( cc+eb(1)*eb(1)*(1-cc)) * emu(1) + &
|
||||
& ( -eb(3)*ss+eb(1)*eb(2)*(1-cc)) * emu(2) + &
|
||||
& ( eb(2)*ss+eb(1)*eb(3)*(1-cc)) * emu(3)
|
||||
!
|
||||
g_t(2,it) = g_t(2,it) + &
|
||||
& ( eb(3)*ss+eb(1)*eb(2)*(1-cc)) * emu(1) + &
|
||||
& ( cc+eb(2)*eb(2)*(1-cc)) * emu(2) + &
|
||||
& ( -eb(1)*ss+eb(2)*eb(3)*(1-cc)) * emu(3)
|
||||
!
|
||||
g_t(3,it) = g_t(3,it) + &
|
||||
& ( -eb(2)*ss+eb(1)*eb(3)*(1-cc)) * emu(1) + &
|
||||
& ( eb(1)*ss+eb(2)*eb(3)*(1-cc)) * emu(2) + &
|
||||
& ( cc+eb(3)*eb(3)*(1-cc)) * emu(3)
|
||||
!
|
||||
END DO
|
||||
!
|
||||
IF ( mod(ib,1000) .EQ. 0 ) idummy = putc('#')
|
||||
!
|
||||
END IF ! decision on fraction of muon sites
|
||||
END DO ! over bond loop
|
||||
END DO
|
||||
END DO
|
||||
END DO ! l, k, j loops
|
||||
!
|
||||
! Average over all calculaled sites.
|
||||
!
|
||||
norm = dble( float(ib))
|
||||
aver_b = aver_b / norm
|
||||
sigma_b = sqrt( (sigma_b - aver_b * aver_b ) / norm )
|
||||
delta = gyro * sigma_b
|
||||
g_t = g_t / norm
|
||||
!
|
||||
! Renormalize histograms
|
||||
!
|
||||
IF ( his_open ) THEN ! Should the histogram be calculated ??
|
||||
Write(4,*) '-------------------------------------------------------'
|
||||
!
|
||||
! Check whether the maximum calculated field exceeds the range
|
||||
!
|
||||
IF ( ihist(1,-mrange) .EQ. 0 .AND. ihist(1,mrange) .EQ. 0 .AND. &
|
||||
& ihist(2,-mrange) .EQ. 0 .AND. ihist(2,mrange) .EQ. 0 .AND. &
|
||||
& ihist(3,-mrange) .EQ. 0 .AND. ihist(3,mrange) .EQ. 0 ) THEN
|
||||
!
|
||||
! determine the range of fields found
|
||||
!
|
||||
DO j = 1, 3
|
||||
DO k = -mrange, mrange
|
||||
IF ( ihist(j, k) .GT. 0 ) maxfield = k
|
||||
IF ( ihist(j,-k) .GT. 0 ) minfield = -k
|
||||
END DO
|
||||
!
|
||||
! adjust binning of histogram and write values
|
||||
!
|
||||
ibin = (maxfield - minfield) / nrange + 1
|
||||
x = float(minfield) * range / float(mrange)
|
||||
step = range * float(ibin) / float(mrange)
|
||||
!
|
||||
write(6,*) ' The field histogram vaues are: '
|
||||
write(6,*) minfield, maxfield, ibin, x, step
|
||||
!
|
||||
DO i = minfield, maxfield, ibin
|
||||
ihis = 0
|
||||
DO k = 0, ibin-1
|
||||
ihis = ihis + ihist(j,i+k)
|
||||
END DO
|
||||
his = float(ihis) / norm
|
||||
Write(4,'(2E16.6)') x, his
|
||||
x = x + step
|
||||
END DO
|
||||
!
|
||||
Write(4,*) ' '
|
||||
END DO
|
||||
!
|
||||
ELSE
|
||||
Write(4,*) ' Fields exceed the maximum field for histogram calculation '
|
||||
END IF
|
||||
END IF ! Histogram calculation
|
||||
!
|
||||
end_time = dtime(runtime)
|
||||
!
|
||||
write(6,*) ' '
|
||||
write(2,100) comment(1:73),(dt(j),j=1,3),(dt(j),j=5,8)
|
||||
write(6,101) n*ah, m*ah
|
||||
write(6,301) nd1*ah, nd2*ah
|
||||
write(6,102) concentration
|
||||
write(6,103) anisotropy, int(-anisotropy)
|
||||
write(6,104) n_site
|
||||
write(6,304) theta, phi
|
||||
write(6,105) nspin
|
||||
write(6,106) aver_b
|
||||
write(6,107) sigma_b
|
||||
write(6,108) delta
|
||||
write(6,308) b_ext
|
||||
write(6,109) end_time - start_time
|
||||
!
|
||||
! Look whether data have to be written to file
|
||||
!
|
||||
IF ( out_open ) THEN
|
||||
write(2,100) comment(1:73),(dt(j),j=1,3),(dt(j),j=5,8)
|
||||
write(2,101) n*ah, m*ah
|
||||
write(2,301) nd1*ah, nd2*ah
|
||||
write(2,102) concentration
|
||||
write(2,103) anisotropy, int(-anisotropy)
|
||||
write(2,104) n_site
|
||||
write(2,304) theta, phi
|
||||
write(2,105) nspin
|
||||
write(2,106) aver_b
|
||||
write(2,107) sigma_b
|
||||
write(2,108) delta
|
||||
write(2,308) b_ext
|
||||
write(2,109) end_time - start_time
|
||||
END IF
|
||||
!
|
||||
100 format(' '/' ',73('-')/' ',a73/' ',73('-')/ &
|
||||
& ' Calculation started ',i5,'-',i2,'-',i2, &
|
||||
& ' at ',2(i2,':'),i2,'.',i3/' ',73('-')/' ')
|
||||
101 format(' sample = ', F6.1, ' nanometer thick, and ', F6.1, ' nanometer wide.')
|
||||
102 format(' concentration = ', F12.1, ' at. %')
|
||||
103 format(' anisotropy = ', E12.3,' (int) ',I2)
|
||||
104 format(' number of muons = ', I12)
|
||||
105 format(' number of spins = ', I12)
|
||||
106 format(' average field = ', 3E12.3,' tesla')
|
||||
107 format(' second moment = ', 3E12.3,' tesla')
|
||||
108 format(' corres. delta = ', 3E12.3,' 1/microseconde')
|
||||
109 format(' cpu_time = ', E12.3, ' seconds')
|
||||
308 format(' ext. field = ', 3E12.3,' tesla')
|
||||
301 format(' penetration from = ', F6.1,' to ',F6.1' nanometer.')
|
||||
304 format(' initial muon spin, theta = ',f6.2,' phi = ', f6.2)
|
||||
!
|
||||
! Write G(t) if the file is open
|
||||
!
|
||||
500 IF ( g_t_open ) THEN
|
||||
!
|
||||
DO k = 0, 999
|
||||
write(3,'(3E20.6)') (g_t(id,k),id=1,3) ! output
|
||||
END DO
|
||||
!
|
||||
END IF
|
||||
!
|
||||
! Go back to read new parameters
|
||||
!
|
||||
GOTO 111
|
||||
!
|
||||
! On error in input_file
|
||||
!
|
||||
998 Write(6,*) ' '
|
||||
Write(6,*) ' There is an error in the input file. '
|
||||
IF ( out_open ) Write(2,*) ' There is an error in the input file. '
|
||||
!
|
||||
999 IF ( in_open ) close(1)
|
||||
IF ( out_open ) close(2)
|
||||
IF ( g_t_open ) close(3)
|
||||
IF ( his_open ) close(4)
|
||||
END
|
||||
!
|
||||
! End of program
|
||||
!-------------------------------------------------------------------------------------------
|
||||
!
|
||||
! Functions and Subroutines
|
||||
!
|
||||
!-------------------------------------------------------------------------------------------
|
||||
real*8 FUNCTION length( v )
|
||||
real*8 v(3)
|
||||
length = sqrt( sum( v * v ) )
|
||||
RETURN
|
||||
END
|
||||
!
|
||||
real*8 FUNCTION scalar_product( v, w )
|
||||
real*8 v(3), w(3)
|
||||
scalar_product = sum( v * w )
|
||||
RETURN
|
||||
END
|
||||
!
|
||||
real*8 FUNCTION length_vector_product( v, w )
|
||||
real*8 v(3), w(3), vp(3), length
|
||||
call vector_product( vp, v, w )
|
||||
length_vector_product = length( vp )
|
||||
RETURN
|
||||
END
|
||||
!
|
||||
SUBROUTINE vector_product( vp, v, w )
|
||||
real*8 v(3), w(3), vp(3)
|
||||
vp(1) = v(2) * w(3) - v(3) * w(2)
|
||||
vp(2) = v(3) * w(1) - v(1) * w(3)
|
||||
vp(3) = v(1) * w(2) - v(2) * w(1)
|
||||
RETURN
|
||||
END
|
||||
3
thinfilm/test.f90
Executable file
3
thinfilm/test.f90
Executable file
@ -0,0 +1,3 @@
|
||||
Write(6,*) ' het werkt weer '
|
||||
stop
|
||||
end
|
||||
0
thinfilm/test.g_t
Executable file
0
thinfilm/test.g_t
Executable file
98
thinfilm/thinfilm.001
Executable file
98
thinfilm/thinfilm.001
Executable file
@ -0,0 +1,98 @@
|
||||
# Microsoft Developer Studio Project File - Name="thinfilm" - Package Owner=<4>
|
||||
# Microsoft Developer Studio Generated Build File, Format Version 5.00
|
||||
# ** DO NOT EDIT **
|
||||
|
||||
# TARGTYPE "Win32 (x86) Console Application" 0x0103
|
||||
|
||||
CFG=thinfilm - Win32 Debug
|
||||
!MESSAGE This is not a valid makefile. To build this project using NMAKE,
|
||||
!MESSAGE use the Export Makefile command and run
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "thinfilm.mak".
|
||||
!MESSAGE
|
||||
!MESSAGE You can specify a configuration when running NMAKE
|
||||
!MESSAGE by defining the macro CFG on the command line. For example:
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "thinfilm.mak" CFG="thinfilm - Win32 Debug"
|
||||
!MESSAGE
|
||||
!MESSAGE Possible choices for configuration are:
|
||||
!MESSAGE
|
||||
!MESSAGE "thinfilm - Win32 Release" (based on\
|
||||
"Win32 (x86) Console Application")
|
||||
!MESSAGE "thinfilm - Win32 Debug" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE
|
||||
|
||||
# Begin Project
|
||||
# PROP Scc_ProjName ""
|
||||
# PROP Scc_LocalPath ""
|
||||
F90=df.exe
|
||||
RSC=rc.exe
|
||||
|
||||
!IF "$(CFG)" == "thinfilm - Win32 Release"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 0
|
||||
# PROP BASE Output_Dir "Release"
|
||||
# PROP BASE Intermediate_Dir "Release"
|
||||
# PROP BASE Target_Dir ""
|
||||
# PROP Use_MFC 0
|
||||
# PROP Use_Debug_Libraries 0
|
||||
# PROP Output_Dir "Release"
|
||||
# PROP Intermediate_Dir "Release"
|
||||
# PROP Target_Dir ""
|
||||
# ADD BASE F90 /include:"Release/" /compile_only /nologo /warn:nofileopt
|
||||
# ADD F90 /include:"Release/" /compile_only /nologo /warn:nofileopt
|
||||
# ADD BASE RSC /l 0x413 /d "NDEBUG"
|
||||
# ADD RSC /l 0x413 /d "NDEBUG"
|
||||
BSC32=bscmake.exe
|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /machine:I386
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /machine:I386
|
||||
|
||||
!ELSEIF "$(CFG)" == "thinfilm - Win32 Debug"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 1
|
||||
# PROP BASE Output_Dir "Debug"
|
||||
# PROP BASE Intermediate_Dir "Debug"
|
||||
# PROP BASE Target_Dir ""
|
||||
# PROP Use_MFC 0
|
||||
# PROP Use_Debug_Libraries 1
|
||||
# PROP Output_Dir "Debug"
|
||||
# PROP Intermediate_Dir "Debug"
|
||||
# PROP Target_Dir ""
|
||||
# ADD BASE F90 /include:"Debug/" /compile_only /nologo /debug:full /optimize:0 /warn:nofileopt
|
||||
# ADD F90 /include:"Debug/" /compile_only /nologo /debug:full /optimize:0 /warn:nofileopt
|
||||
# ADD BASE RSC /l 0x413 /d "_DEBUG"
|
||||
# ADD RSC /l 0x413 /d "_DEBUG"
|
||||
BSC32=bscmake.exe
|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
|
||||
|
||||
!ENDIF
|
||||
|
||||
# Begin Target
|
||||
|
||||
# Name "thinfilm - Win32 Release"
|
||||
# Name "thinfilm - Win32 Debug"
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=.\field_calculation.f90
|
||||
# End Source File
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=.\field_simulation.f90
|
||||
# PROP Exclude_From_Build 1
|
||||
# End Source File
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=.\test.f90
|
||||
# PROP Exclude_From_Build 1
|
||||
# End Source File
|
||||
# End Target
|
||||
# End Project
|
||||
106
thinfilm/thinfilm.dsp
Executable file
106
thinfilm/thinfilm.dsp
Executable file
@ -0,0 +1,106 @@
|
||||
# Microsoft Developer Studio Project File - Name="thinfilm" - Package Owner=<4>
|
||||
# Microsoft Developer Studio Generated Build File, Format Version 6.00
|
||||
# ** DO NOT EDIT **
|
||||
|
||||
# TARGTYPE "Win32 (x86) Console Application" 0x0103
|
||||
|
||||
CFG=thinfilm - Win32 Debug
|
||||
!MESSAGE This is not a valid makefile. To build this project using NMAKE,
|
||||
!MESSAGE use the Export Makefile command and run
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "thinfilm.mak".
|
||||
!MESSAGE
|
||||
!MESSAGE You can specify a configuration when running NMAKE
|
||||
!MESSAGE by defining the macro CFG on the command line. For example:
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "thinfilm.mak" CFG="thinfilm - Win32 Debug"
|
||||
!MESSAGE
|
||||
!MESSAGE Possible choices for configuration are:
|
||||
!MESSAGE
|
||||
!MESSAGE "thinfilm - Win32 Release" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE "thinfilm - Win32 Debug" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE
|
||||
|
||||
# Begin Project
|
||||
# PROP AllowPerConfigDependencies 0
|
||||
# PROP Scc_ProjName ""
|
||||
# PROP Scc_LocalPath ""
|
||||
CPP=cl.exe
|
||||
F90=df.exe
|
||||
RSC=rc.exe
|
||||
|
||||
!IF "$(CFG)" == "thinfilm - Win32 Release"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 0
|
||||
# PROP BASE Output_Dir "Release"
|
||||
# PROP BASE Intermediate_Dir "Release"
|
||||
# PROP BASE Target_Dir ""
|
||||
# PROP Use_MFC 0
|
||||
# PROP Use_Debug_Libraries 0
|
||||
# PROP Output_Dir "Release"
|
||||
# PROP Intermediate_Dir "Release"
|
||||
# PROP Target_Dir ""
|
||||
# ADD BASE F90 /compile_only /include:"Release/" /nologo /warn:nofileopt
|
||||
# ADD F90 /compile_only /include:"Release/" /nologo /warn:nofileopt
|
||||
# ADD BASE RSC /l 0x413 /d "NDEBUG"
|
||||
# ADD RSC /l 0x413 /d "NDEBUG"
|
||||
BSC32=bscmake.exe
|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /machine:I386
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /machine:I386
|
||||
|
||||
!ELSEIF "$(CFG)" == "thinfilm - Win32 Debug"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 1
|
||||
# PROP BASE Output_Dir "Debug"
|
||||
# PROP BASE Intermediate_Dir "Debug"
|
||||
# PROP BASE Target_Dir ""
|
||||
# PROP Use_MFC 0
|
||||
# PROP Use_Debug_Libraries 1
|
||||
# PROP Output_Dir "Debug"
|
||||
# PROP Intermediate_Dir "Debug"
|
||||
# PROP Target_Dir ""
|
||||
# ADD BASE F90 /compile_only /debug:full /include:"Debug/" /nologo /warn:nofileopt
|
||||
# ADD F90 /compile_only /debug:full /include:"Debug/" /nologo /warn:nofileopt
|
||||
# ADD BASE RSC /l 0x413 /d "_DEBUG"
|
||||
# ADD RSC /l 0x413 /d "_DEBUG"
|
||||
BSC32=bscmake.exe
|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
|
||||
|
||||
!ENDIF
|
||||
|
||||
# Begin Target
|
||||
|
||||
# Name "thinfilm - Win32 Release"
|
||||
# Name "thinfilm - Win32 Debug"
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=.\field_calculation.f90
|
||||
|
||||
!IF "$(CFG)" == "thinfilm - Win32 Release"
|
||||
|
||||
!ELSEIF "$(CFG)" == "thinfilm - Win32 Debug"
|
||||
|
||||
!ENDIF
|
||||
|
||||
# End Source File
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=.\field_simulation.f90
|
||||
# PROP Exclude_From_Build 1
|
||||
# End Source File
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=.\test.f90
|
||||
# PROP Exclude_From_Build 1
|
||||
# End Source File
|
||||
# End Target
|
||||
# End Project
|
||||
26
thinfilm/thinfilm.plg
Executable file
26
thinfilm/thinfilm.plg
Executable file
@ -0,0 +1,26 @@
|
||||
<html>
|
||||
<body>
|
||||
<pre>
|
||||
<h1>Build Log</h1>
|
||||
<h3>
|
||||
--------------------Configuration: thinfilm - Win32 Release--------------------
|
||||
</h3>
|
||||
<h3>Command Lines</h3>
|
||||
Creating temporary file "C:\DOCUME~1\NIEUWE~1\LOCALS~1\Temp\RSP28A.tmp" with contents
|
||||
[
|
||||
/compile_only /include:"Release/" /nologo /warn:nofileopt /module:"Release/" /object:"Release/"
|
||||
"U:\monte_carlo\thinfilm\field_calculation.f90"
|
||||
]
|
||||
Creating command line "link.exe kernel32.lib /nologo /subsystem:console /incremental:no /pdb:"Release/thinfilm.pdb" /machine:I386 /out:"Release/thinfilm.exe" .\Release\field_calculation.obj "
|
||||
<h3>Output Window</h3>
|
||||
Compiling Fortran...
|
||||
U:\monte_carlo\thinfilm\field_calculation.f90
|
||||
Linking...
|
||||
|
||||
|
||||
|
||||
<h3>Results</h3>
|
||||
thinfilm.exe - 0 error(s), 0 warning(s)
|
||||
</pre>
|
||||
</body>
|
||||
</html>
|
||||
BIN
to_plot/Debug/DF60.PDB
Executable file
BIN
to_plot/Debug/DF60.PDB
Executable file
Binary file not shown.
BIN
to_plot/Debug/to_plot.exe
Executable file
BIN
to_plot/Debug/to_plot.exe
Executable file
Binary file not shown.
BIN
to_plot/Debug/to_plot.obj
Executable file
BIN
to_plot/Debug/to_plot.obj
Executable file
Binary file not shown.
BIN
to_plot/Debug/to_plot.pdb
Executable file
BIN
to_plot/Debug/to_plot.pdb
Executable file
Binary file not shown.
BIN
to_plot/Release/dynamics.obj
Executable file
BIN
to_plot/Release/dynamics.obj
Executable file
Binary file not shown.
BIN
to_plot/Release/to_plot.exe
Executable file
BIN
to_plot/Release/to_plot.exe
Executable file
Binary file not shown.
BIN
to_plot/Release/to_plot.obj
Executable file
BIN
to_plot/Release/to_plot.obj
Executable file
Binary file not shown.
105
to_plot/to_plot.dsp
Executable file
105
to_plot/to_plot.dsp
Executable file
@ -0,0 +1,105 @@
|
||||
# Microsoft Developer Studio Project File - Name="to_plot" - Package Owner=<4>
|
||||
# Microsoft Developer Studio Generated Build File, Format Version 6.00
|
||||
# ** DO NOT EDIT **
|
||||
|
||||
# TARGTYPE "Win32 (x86) Console Application" 0x0103
|
||||
|
||||
CFG=to_plot - Win32 Debug
|
||||
!MESSAGE This is not a valid makefile. To build this project using NMAKE,
|
||||
!MESSAGE use the Export Makefile command and run
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "to_plot.mak".
|
||||
!MESSAGE
|
||||
!MESSAGE You can specify a configuration when running NMAKE
|
||||
!MESSAGE by defining the macro CFG on the command line. For example:
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "to_plot.mak" CFG="to_plot - Win32 Debug"
|
||||
!MESSAGE
|
||||
!MESSAGE Possible choices for configuration are:
|
||||
!MESSAGE
|
||||
!MESSAGE "to_plot - Win32 Release" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE "to_plot - Win32 Debug" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE
|
||||
|
||||
# Begin Project
|
||||
# PROP AllowPerConfigDependencies 0
|
||||
# PROP Scc_ProjName ""
|
||||
# PROP Scc_LocalPath ""
|
||||
CPP=cl.exe
|
||||
F90=df.exe
|
||||
RSC=rc.exe
|
||||
|
||||
!IF "$(CFG)" == "to_plot - Win32 Release"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 0
|
||||
# PROP BASE Output_Dir "Release"
|
||||
# PROP BASE Intermediate_Dir "Release"
|
||||
# PROP BASE Target_Dir ""
|
||||
# PROP Use_MFC 0
|
||||
# PROP Use_Debug_Libraries 0
|
||||
# PROP Output_Dir "Release"
|
||||
# PROP Intermediate_Dir "Release"
|
||||
# PROP Target_Dir ""
|
||||
# ADD BASE F90 /compile_only /nologo /warn:nofileopt
|
||||
# ADD F90 /compile_only /nologo /warn:nofileopt
|
||||
# ADD BASE CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
|
||||
# ADD CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
|
||||
# ADD BASE RSC /l 0x409 /d "NDEBUG"
|
||||
# ADD RSC /l 0x409 /d "NDEBUG"
|
||||
BSC32=bscmake.exe
|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /machine:I386
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /machine:I386
|
||||
|
||||
!ELSEIF "$(CFG)" == "to_plot - Win32 Debug"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 1
|
||||
# PROP BASE Output_Dir "Debug"
|
||||
# PROP BASE Intermediate_Dir "Debug"
|
||||
# PROP BASE Target_Dir ""
|
||||
# PROP Use_MFC 0
|
||||
# PROP Use_Debug_Libraries 1
|
||||
# PROP Output_Dir "Debug"
|
||||
# PROP Intermediate_Dir "Debug"
|
||||
# PROP Target_Dir ""
|
||||
# ADD BASE F90 /check:bounds /compile_only /dbglibs /debug:full /nologo /traceback /warn:argument_checking /warn:nofileopt
|
||||
# ADD F90 /check:bounds /compile_only /dbglibs /debug:full /nologo /traceback /warn:argument_checking /warn:nofileopt
|
||||
# ADD BASE CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
|
||||
# ADD CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
|
||||
# ADD BASE RSC /l 0x409 /d "_DEBUG"
|
||||
# ADD RSC /l 0x409 /d "_DEBUG"
|
||||
BSC32=bscmake.exe
|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /incremental:no /debug /machine:I386 /pdbtype:sept
|
||||
|
||||
!ENDIF
|
||||
|
||||
# Begin Target
|
||||
|
||||
# Name "to_plot - Win32 Release"
|
||||
# Name "to_plot - Win32 Debug"
|
||||
# Begin Group "Source Files"
|
||||
|
||||
# PROP Default_Filter "cpp;c;cxx;rc;def;r;odl;idl;hpj;bat;f90;for;f;fpp"
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=.\to_plot.f90
|
||||
# End Source File
|
||||
# End Group
|
||||
# Begin Group "Header Files"
|
||||
|
||||
# PROP Default_Filter "h;hpp;hxx;hm;inl;fi;fd"
|
||||
# End Group
|
||||
# Begin Group "Resource Files"
|
||||
|
||||
# PROP Default_Filter "ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe"
|
||||
# End Group
|
||||
# End Target
|
||||
# End Project
|
||||
88
to_plot/to_plot.f90
Executable file
88
to_plot/to_plot.f90
Executable file
@ -0,0 +1,88 @@
|
||||
! to_plot.f90
|
||||
!
|
||||
! FUNCTIONS:
|
||||
! to_plot - Entry point of console application.
|
||||
!
|
||||
|
||||
!****************************************************************************
|
||||
!
|
||||
! PROGRAM: to_plot
|
||||
!
|
||||
! PURPOSE: To put several *g_t files in a multicolumn file and in the ZF
|
||||
! cases correct for the fact that all simulations were done
|
||||
! with 50 degree phase angle (should have been 0 for ZF)
|
||||
!
|
||||
!****************************************************************************
|
||||
|
||||
program to_plot
|
||||
|
||||
implicit none
|
||||
|
||||
! Variables
|
||||
|
||||
integer*4 i,j,k,n,is,l,max_l
|
||||
real*4 x(40,1000), y(40,1000), xi, yi, yj
|
||||
character*512 out
|
||||
character*80 filename, file_out
|
||||
character*1 y_n
|
||||
logical*4 ZF
|
||||
|
||||
! Body of to_plot
|
||||
|
||||
1 write(6,2)
|
||||
2 format(' Give simulation numbers > '$)
|
||||
read(5,*,err=1) is, k, n
|
||||
3 write(6,4)
|
||||
4 format(' Zero-Field ? '$)
|
||||
read(5,'(a1)') y_n
|
||||
ZF = ( y_n .EQ. 'y' .OR. y_n .EQ. 'Y' )
|
||||
5 write(6,6)
|
||||
6 format(' Give output file name > '$)
|
||||
read(5,'(a80)') file_out
|
||||
|
||||
max_l = 0
|
||||
x = 0.0
|
||||
y = 0.0
|
||||
|
||||
DO i = k, n
|
||||
write(filename,50) is, i
|
||||
50 format('u:\simulations\dynamics-',i2,'_',i3,'.g_t')
|
||||
write(6,*) filename
|
||||
open(1,file=filename,status='old',err=55)
|
||||
write(out( 14*(i-k)+1:14*(i-k+1) ),51) is,i
|
||||
51 format(' time ',i2,'_',i3)
|
||||
|
||||
l = 0
|
||||
|
||||
read(1,*) xi, yi, yj
|
||||
|
||||
|
||||
DO WHILE( xi .LT. 5.0 .AND. (.NOT. Eof(1) ) )
|
||||
l = l + 1
|
||||
IF ( ZF ) yi = sqrt( yi*yi + yj*yj )
|
||||
x(i-k+1,l) = xi
|
||||
y(i-k+1,l) = yi
|
||||
read(1,*) xi, yi, yj
|
||||
END DO
|
||||
|
||||
IF ( max_l .LT. l ) max_l = l
|
||||
close(1)
|
||||
|
||||
55 END DO
|
||||
|
||||
open(2,file='u:\simulations\'//file_out,status='new')
|
||||
write( 2, '(a)' ) out(1:14*(n-k+1))
|
||||
|
||||
DO j = 1, max_l
|
||||
write(out,'(35(f6.3,f8.3))') ( (x(i,j),y(i,j)),i=1,n-k+1 )
|
||||
DO i = 1, n-k+1
|
||||
IF ( x(i,j) .LT. 0.0 ) out( 14*(i-1)+1:14*i ) = ' '
|
||||
END DO
|
||||
write(2,'(a)') out(1:14*(n-k+1))
|
||||
END DO
|
||||
|
||||
close(2)
|
||||
goto 1
|
||||
|
||||
end program to_plot
|
||||
|
||||
24
to_plot/to_plot.plg
Executable file
24
to_plot/to_plot.plg
Executable file
@ -0,0 +1,24 @@
|
||||
<html>
|
||||
<body>
|
||||
<pre>
|
||||
<h1>Build Log</h1>
|
||||
<h3>
|
||||
--------------------Configuration: to_plot - Win32 Release--------------------
|
||||
</h3>
|
||||
<h3>Command Lines</h3>
|
||||
Creating temporary file "C:\DOCUME~1\NIEUWE~1\LOCALS~1\Temp\RSP3.tmp" with contents
|
||||
[
|
||||
/compile_only /nologo /warn:nofileopt /module:"Release/" /object:"Release/"
|
||||
"N:\simulations\dynamics.f90"
|
||||
]
|
||||
<h3>Output Window</h3>
|
||||
Compiling Fortran...
|
||||
N:\simulations\dynamics.f90
|
||||
|
||||
|
||||
|
||||
<h3>Results</h3>
|
||||
dynamics.obj - 0 error(s), 0 warning(s)
|
||||
</pre>
|
||||
</body>
|
||||
</html>
|
||||
Loading…
x
Reference in New Issue
Block a user