SpinGlassSimulations added (and removed junk)
This commit is contained in:
nieuwenhuys
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SpinGlassSimulations/make spinglass/Debug/DF60.PDB
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SpinGlassSimulations/make spinglass/Debug/DF60.PDB
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SpinGlassSimulations/make spinglass/Debug/Zero Temperature.obj
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SpinGlassSimulations/make spinglass/Debug/Zero Temperature.obj
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SpinGlassSimulations/make spinglass/Debug/make spinglass.pdb
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SpinGlassSimulations/make spinglass/Debug/make spinglass.pdb
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SpinGlassSimulations/make spinglass/Release/Zero Temperature.obj
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SpinGlassSimulations/make spinglass/Release/Zero Temperature.obj
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SpinGlassSimulations/make spinglass/Release/field_simulation.obj
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SpinGlassSimulations/make spinglass/Release/field_simulation.obj
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SpinGlassSimulations/make spinglass/Zero Temperature.f90
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SpinGlassSimulations/make spinglass/Zero Temperature.f90
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! Program to simulate thin film spinglasses.
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!
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! Ge Nieuwenhuys, June, 2002, Written as Ising Metropolis program
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! October 2005, Rewritten as Heisenberg Zero-Temperature
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! October 17, 2005 Bug in direct access file "removes" by
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! oversizing the recordlength
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!
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! October 12: periodic boundary conditions in y- z plane
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! October 14: random number start randomly (based on clock) for
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! batch calculations.
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! October 14: output-file-names are automatically indexed.
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!
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! Spins are located on a fcc lattice
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!
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! nspin number of spins
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! nsp number of spins asked
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! d thickness
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! a lattice constant
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! ah half of lattice constant
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!
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Use DFPORT ! library only needed for obtaining CPU-time
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Use DFLIB
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!
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parameter ( max_spins = 100000 )
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!
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structure /spin/
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integer*4 x,y,z
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real*8 c(3)
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end structure
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!
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structure /inter/
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integer si
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real*8 val
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end structure
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!
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integer*4 j,k,l,m,n, nsp, nspin, nat, steps_per_spin, mh, ix, iy, iz
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integer*4 l_calc, ifile, iseed
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record /spin/ s(max_spins)
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record /inter/ i(100,max_spins)
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real*8 d, concentration, c, dd(max_spins), rkky, norm, p(3), k_F
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real*8 b_ext(3), b_ext_K(3), moment, T_glass, mag(3)
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character*1 answer
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character*80 calculation, line
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logical open_inp
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character*8 dddd, tttt, zone
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character*4 file_index
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integer dt(8)
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real*4 runtime(2), start_time, end_time
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!
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! initialization
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!
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val = 0
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a = .407 ! nm, lattice parameter for Au
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k_F = 12.0 ! 1/nm, Fermi wavevector for Au
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moment = 2.2 ! mu_B, moment of the impurity spins
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b_ext(1) = 0.01
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b_ext(2) = 0.0
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b_ext(3) = 0.0 ! extrenal field of 100 gauss in x-direction
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T_glass = 15.0 ! glass_temperature in Kelvin
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ah = a / 2.0
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iseed = 1234567
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!
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Write(6,*) '-----------------------------------------------------'
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Write(6,*) '| SPIN-GLASS GROUNDSTATE SIMULATION |'
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Write(6,*) '| Version October 17, 2005 |'
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Write(6,*) '| |'
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Write(6,*) '| This program simulates a spin-glass groundstate |'
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Write(6,*) '| using the method as described by |'
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Write(6,*) '| Walstedt and Walker, Phys. Rev. B22 (1980) 3816 |'
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Write(6,*) '| |'
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Write(6,*) '| The program can be used in batch mode by |'
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Write(6,*) '| supplying the name of the calculation |'
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Write(6,*) '| (Enter will start the online mode) |'
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Write(6,*) '| |'
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Write(6,*) '| In de batch-mode the parameters will be read from |'
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Write(6,*) '| <calculation>.inp |'
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Write(6,*) '| A comment on the first line and then on |'
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Write(6,*) '| each line of this file |'
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Write(6,*) '| number of spins, |'
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Write(6,*) '| thickness of sample [nm], |'
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Write(6,*) '| lattice parameter [nm], |'
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Write(6,*) '| Fermi wave number [nm^-1] |'
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Write(6,*) '| concentration of spins [at.%], |'
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Write(6,*) '| glass temperature [K], |'
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Write(6,*) '| magnetic moment [mu_B], |'
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Write(6,*) '| external magnetic field (3 components) [tesla] |'
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Write(6,*) '| number of iterations |'
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Write(6,*) '| |'
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Write(6,*) '| <calculation> can be entered as a |'
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Write(6,*) '| commandline parameter |'
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Write(6,*) '-----------------------------------------------------'
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!
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! Ask name of calculation (and read if in batch mode )
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!
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!
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! files :
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!
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open(9,file='u:\simulations\counter.his',status='old')
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read(9,*) ifile ! initialize outputfile counter
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!
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IF ( iargc() .GT. 0 ) THEN
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call getarg(1, calculation)
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Write(6,*) ' Calculation taken from commandline > ',calculation
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ELSE
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777 write(6,778)
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778 format(' '/' Give name of the calculation > ', \)
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read(5,'(a80)') calculation
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END IF
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!
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IF ( calculation(1:1) .NE. ' ' ) THEN
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l_calc = index( calculation, ' ') - 1
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open(1,file=calculation(1:l_calc)//'.inp', status='old', action='read', err=777)
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open(2,file=calculation(1:l_calc)//'.out', status='unknown', action='write')
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END IF
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!
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inquire(1,opened=open_inp)
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IF (open_inp) read(1,'(a80)') comment
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!
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open(9,file='u:\simulations\counter.sgl',status='old')
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read(9,*) ifile
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!
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888 IF (open_inp) THEN ! new calculation
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889 ifile = ifile + 1 ! increase outputfile number
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rewind(9)
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write(9,*) ifile ! store for next program
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write(file_index,'(''_'',i3)') ifile ! generate file_name
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DO j = 2, 4
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IF (file_index(j:j) .EQ. ' ' ) file_index(j:j) = '0'
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END DO
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!
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! Although the length of the record /spin/ is 3*4 + 3*8 = 36, the length had to be
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! set to 40, otherwise the writing went wrong (s.c(3) always, except for the last
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! equal to zero
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!
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open(3,file=calculation(1:l_calc)//file_index//'.sgl',status='unknown', &
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& access='direct',form='binary',recl=40)
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!
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890 read(1,'(a80)',end=999) line
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IF ( line(1:1) .EQ. '!' ) THEN
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write(6,'(a)') line
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GOTO 890
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ELSE
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read(line,*,err=998,end=999) nsp, d, a, k_F, concentration, &
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& T_glass, moment, b_ext, &
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& steps_per_spin
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END IF
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!
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! Initialize randomnumber generator "randomly"
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!
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call date_and_time( dddd, tttt, zone, dt )
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DO j = 1, dt(8) ! number milliseconds on the clock
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dummy = rand(iseed)
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END DO
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!
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ELSE
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!
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! Ask size of the system
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!
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1 write(6,2)
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2 format( ' How many spins ? '\)
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read(5,*,err=1) nsp
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IF ( nsp .LE. 0 ) STOP ' Programm terminated by operator '
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IF ( nsp .GT. max_spins ) GOTO 1
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!
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3 write(6,4)
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4 format( ' What thickness [nm] ? '\)
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read(5,*,err=3) d
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!
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5 write(6,6)
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6 format( ' Which concentration [at.%] ? '\)
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read(5,*,err=5) concentration
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7 write(6,8)
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8 format(' Give the T_glass and the magnetic moment > '\)
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read(5,*,err=7) T_glass, moment
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END IF
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!
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! end of getting all parameters
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!
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c = concentration / 100
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!
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! Calculate the magnetic field energy in Kelvin
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!
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b_ext_K = moment * (0.927 / 1.38) * b_ext
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!
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start_time = dtime(runtime) ! record the starttime
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!
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! Calculate the 'rounded' number of spins for a lattice n*m*m for
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! the given concentration
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!
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n = floor( d / ah )
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nat = floor( nsp / c )
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m = floor( sqrt( 2.0 * float(nat) / float(n) ) )
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mh = m / 2
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nat = m * m * n / 2
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nspin = floor( nat * c )
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!
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write(6,*) ' n = ', n,' m = ', m
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write(6,*) ' nat = ', nat
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write(6,*) ' nspin = ', nspin
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!
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write(2,*) ' n = ', n,' m = ', m
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write(2,*) ' nat = ', nat
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write(2,*) ' nspin = ', nspin
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!
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! Place the spins on the lattice
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!
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nspin = 0
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DO j = 0, n-1
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DO k = 0, m-1
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DO l = 0, m-1
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IF ( mod(j+k+l,2) .EQ. 0 ) THEN
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IF ( ran(iseed) .LT. c ) THEN
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nspin = nspin + 1
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s(nspin).x = j
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s(nspin).y = k
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s(nspin).z = l
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END IF
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END IF
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END DO
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END DO
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END DO
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!
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! Calculate the 100 shortest distances
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!
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write(6,*) ' '
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write(6,*) ' '
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!
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DO j = 1, nspin
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write(6,9) j, char(13)
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9 format(' Considering spin ', i5, a1,\)
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DO k = 1, nspin
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IF ( k .EQ. j ) THEN
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dd(k) = 1e10
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ELSE
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ix = s(j).x - s(k).x
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iy = s(j).y - s(k).y
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IF ( iy .LT. -mh ) iy = iy + m ! periodic boundary along y-axis
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IF ( iy .GT. mh ) iy = iy - m
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iz = s(j).z - s(k).z
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IF ( iz .LT. -mh ) iz = iz + m ! periodic boundary along z-axis
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IF ( iz .GT. mh ) iz = iz - m
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dd(k) = (ix*ix + iy*iy + iz*iz)
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END IF
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END DO
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!
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DO ii = 1, 100
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dd_min = 1E+10
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DO k = 1, nspin
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IF ( dd(k) .LT. dd_min ) THEN
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l = k
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dd_min = dd(k)
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END IF
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END DO
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i(ii,j).si = l
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i(ii,j).val = ah * sqrt(dd(l))
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dd(l) = 1e10
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END DO
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!
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! translate distance into interaction strength
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!
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DO ii = 1, 100
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i(ii,j).val = rkky( i(ii,j).val, k_F, T_glass )
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END DO
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!
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END DO
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!
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end_time = dtime(runtime)
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write(6,*) ' Finally, nspin = ', nspin,' in ', end_time - start_time,' seconds '
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write(2,*) ' Finally, nspin = ', nspin,' in ', end_time - start_time,' seconds '
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!
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! Initialize the spins
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!
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start_time = dtime(runtime)
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!
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DO j = 1, nspin
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DO k = 1, 3
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s(j).c(k) = 2.0*ran(iseed) - 1.0
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END DO
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norm = sqrt( sum( s(j).c * s(j).c ) )
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s(j).c = s(j).c / norm
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END DO
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!
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! Calculated the energy and magnetization
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!
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97 e = 0.0
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mag = 0.0
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!
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DO j = 1, nspin
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p = 0.0
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DO ii = 1, 100
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p = p + i(ii,j).val * s(i(ii,j).si).c
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END DO
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e = e + sum( p * s(j).c ) + sum( b_ext_K * s(j).c )
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mag = mag + s(j).c
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END DO
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!
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end_time = dtime(runtime)
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!
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Write(6,971) mag / float(nspin)
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Write(2,971) mag / float(nspin)
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971 format(' Magnetization = ',3F8.4)
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Write(6,972) e / float(nspin), end_time - start_time
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Write(2,972) e / float(nspin), end_time - start_time
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972 format( ' Energy = ', E14.4, ' after ', f8.2, ' seconds ' )
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!
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! Now start the serious running
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!
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91 IF ( .NOT. open_inp ) THEN
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98 write(6,99)
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99 format(' Give the number of steps per spin [0: new glass] > '\)
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read(5,*,err=98) steps_per_spin
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IF ( steps_per_spin .LE. 0 ) GOTO 777
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END IF
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!
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start_time = dtime(runtime) ! record the starttime
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write(6,*) ' '
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Write(6,*) ' ' ! to make space for the hashes
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!
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! Now comes the real hard work !!!!!!!!!!!
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!
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DO mon = 1, steps_per_spin
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DO j = 1, nspin
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e = 0.0
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p = 0.0
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DO ii = 1, 100
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p = p + i(ii,j).val * s(i(ii,j).si).c
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END DO
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p = p + b_ext_K
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norm = sqrt( sum( p * p ) )
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p = p / norm
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s(j).c = p
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END DO
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IF ( mod(mon,100) .EQ. 0 ) idummy = putc('#')
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END DO
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!
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876 write(6,*) ' '
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write(6,*) ' '
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write(3,rec=1) n,m,nspin,a,moment,T_glass
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write(3,rec=2) concentration,b_ext,steps_per_spin
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DO ispin = 1, nspin
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write(3,rec=ispin+2) s(ispin)
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END DO
|
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close(3)
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!
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IF ( open_inp ) THEN
|
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DO j = 1, nspin
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p = 0.0
|
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DO ii = 1, 100
|
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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 )
|
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mag = mag + s(j).c
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||||
END DO
|
||||
!
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end_time = dtime(runtime)
|
||||
!
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Write(6,971) mag / float(nspin)
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Write(2,971) mag / float(nspin)
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Write(6,972) e / float(nspin), end_time - start_time
|
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Write(2,972) e / float(nspin), end_time - start_time
|
||||
GOTO 888
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||||
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
SpinGlassSimulations/make spinglass/make spinglass.dsp
Executable file
108
SpinGlassSimulations/make spinglass/make spinglass.dsp
Executable file
@ -0,0 +1,108 @@
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||||
# 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
|
||||
# PROP Scc_ProjName ""
|
||||
# PROP Scc_LocalPath ""
|
||||
CPP=cl.exe
|
||||
F90=df.exe
|
||||
RSC=rc.exe
|
||||
|
||||
!IF "$(CFG)" == "make spinglass - Win32 Release"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 0
|
||||
# PROP BASE Output_Dir "Release"
|
||||
# PROP BASE Intermediate_Dir "Release"
|
||||
# PROP BASE Target_Dir ""
|
||||
# PROP Use_MFC 0
|
||||
# PROP Use_Debug_Libraries 0
|
||||
# PROP Output_Dir "Release"
|
||||
# PROP Intermediate_Dir "Release"
|
||||
# PROP Ignore_Export_Lib 0
|
||||
# PROP Target_Dir ""
|
||||
# ADD BASE F90 /compile_only /nologo /warn:nofileopt
|
||||
# ADD F90 /compile_only /nologo /warn:nofileopt
|
||||
# ADD BASE CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
|
||||
# ADD CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
|
||||
# ADD BASE RSC /l 0x409 /d "NDEBUG"
|
||||
# ADD RSC /l 0x409 /d "NDEBUG"
|
||||
BSC32=bscmake.exe
|
||||
# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib /nologo /subsystem:console /machine:I386
|
||||
# ADD LINK32 kernel32.lib /nologo /subsystem:console /machine:I386 /out:"Release/make_spinglass.exe"
|
||||
# SUBTRACT LINK32 /incremental:yes
|
||||
|
||||
!ELSEIF "$(CFG)" == "make spinglass - Win32 Debug"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 1
|
||||
# PROP BASE Output_Dir "Debug"
|
||||
# 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 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
|
||||
# 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 /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
|
||||
# End Target
|
||||
# End Project
|
||||
19
SpinGlassSimulations/make spinglass/make spinglass.plg
Executable file
19
SpinGlassSimulations/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>
|
||||
Reference in New Issue
Block a user