Moved the change log from the Fortran code to a separate Changelog.txt file
This commit is contained in:
169
trimsp/src/Changelog.txt
Normal file
169
trimsp/src/Changelog.txt
Normal file
@ -0,0 +1,169 @@
|
||||
Sep 1998: to create an executable for PC running under WIN95
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using the DIGITAL VISUAL FORTRAN compiler (ed. Aug. 97)
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Insertion of !DEC$REAL:8 (all REAL are REAL*8)
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||||
Conversion of function to double precession
|
||||
Conversion of function to integer*4
|
||||
Conversion of random number generator from DRAND48()
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to DBLE(RAN(ISEED))
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UNIT 17 (data to tape) disabled
|
||||
UNIT 11 (input data) changed to file name EINGABE1.inp
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UNIT 21 (output.data) changed to file name AUSGABE1.out
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Insertion of UNIT 22 (only range data), file name AUSGABE1.rge
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Dec 1998: Introduction of gaussian distributed projectile energies
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new variable RI2 = random number initializer for gaussian energy distribution
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new variable ISEED2 = random number for gaussian energy distribution
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new variable Esig = sigma of the energy distribution
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if Esig=0. then fixed projectile energy
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new variable Epar = projectile energy
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new subroutine ENERGGAUSS = for the gaussian distribution
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new variables in subroutine p1,p2,p3, necessary for calculation of
|
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the gaussian energy distribution
|
||||
Mar 1999: LOGICAL FUNCTION EQUAL inserted. This function is used for comparision
|
||||
of REAL*8 variables with 0.
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OUTPUT to files AUSGABE1:
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bug fixed for the output of the CH(i), bug was also present
|
||||
in the original and the older version of TRIMSPP*C
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||||
if OUTPUT file exists then program asks for new OUTPUT filename
|
||||
all variables are now defined as REAL*8 or INTEGER*4
|
||||
for variable conversion from REAL to INTEGER or INTEGER to REAL
|
||||
conversion function inserted (IDINT, DFLOTJ)
|
||||
use of correct MIN or MAX functions
|
||||
data initialization for all variables (like in BHam) but without
|
||||
DATA ier/102*0/ give an error in calculation of ions stopped in layer 2 - 3
|
||||
Unit 99 for file ausgabe1.err inserted, if and IF... (see below is true
|
||||
then a message is included into this file
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||||
IF's inserted - can be found by using find WRITE(99,
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||||
DABS inserted for DLOG and DLOG10 arguments
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||||
Mai 1999: Version h
|
||||
for TRIMSP simulations running in batch mode (i.e. to calculate
|
||||
a serie of different range profiles using the same target an output
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file FOR33 is created. In this file the following parameters are
|
||||
written:
|
||||
E0,Esig,NH,IIM,IB,IT,IRPL(1),IRPL(2),IRPL(3),fix0,sigmax
|
||||
the FILE open statement is inserted after label 1502
|
||||
new variable column(100)*104 and colcount inserted.
|
||||
Mai 1999: Version i
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||||
tried to fix bug for variable C2 (in Do 65 loop).
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||||
Sometimes this variable becames smaller then 10-10 (an underflow occurs,
|
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the variable C2 is NaN, variables S2 and DENS, which are directly calculated
|
||||
from C2 are also NaN. If variable C2 is less then 10-10 then C2 is 10-10.
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S2 and DENS are calculated with the resetted value of C2.
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Range file (output to unit 22) slightly changed. Now the midth of a channel
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is calculated and only the number of particles is written to the file
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|
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Jun 1999: Version j1
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||||
changed calculation of Firsoc screening length according to the IRCU 49 report.
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the Andersen-Ziegler tables (file stopping.dat) are revised,i.e. the coefficients
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from the ICRU 49 report are included for all elements (file stopicru.dat)
|
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|
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PROGRAM DATMAK2c: this program creates the input files for TRIMSPP4*.
|
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with this program one can change the energy,
|
||||
the energy distribution, the number of muons, and the
|
||||
layer thickness easily. This is for making different
|
||||
simulations (i.e. energy scan, sigma scan, particle
|
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number scan, layer thickness scan). A corresponding
|
||||
batch file is created with this program too.
|
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Nov 1999: Version j1a
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UNIT33: now Etrans, sigmaEtrans, Eback, sigmaEback included
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Bug fixed in line 2084, location of 'write to unit33' changed.
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Dec 1999: Version k
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inclusion of variables
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tryE :how often a random energy is calculated by the random generator
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for large E0 this number should be the same as the number of projectiles nh
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negE :how often a negative energy is calculated by the random generator
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tryE - negE should be nh
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both variables are type integer, both variables included in the output file
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and in the fort33.file
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inclusion of alphasig: one dimensional distribution of the angle of incidence
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if alphasig .NE. 0 THEN a gaussian distribution of alpha will be calculated
|
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in the subroutine ALPHAGAUSS
|
||||
if the calculated angle is < 0 then the absolute value is taken because of
|
||||
the options alpha = -1 or alpha = -2 (see file TRVMC95-v4k.txt)
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||||
inclusion of RI3: random seed for the calculation of the gaussian distribution
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of alpha.
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Header line for file for33 included.
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Jan 2000: no new version but
|
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included energy scaling of particle reflection coefficients after Thomas et al.
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NIM B69 (1992) 427
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the calculated particle reflection coefficients prcoeff are written to the fort.33 file
|
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prc is calculated if 1st layer consists only one element !
|
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included constants prc(1) - prc(6)
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Thomas-Fermi reduced energy: epsilon
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output of E0 and Esig now in keV
|
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Apr 2000: BUG fixed, Var CHM2 removed, i.e. stopping power for energies below 10 keV
|
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was a little bit overestimated. now version TrimSpP4L
|
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Prg Datmak4L creates input files.
|
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Jun 2000: Source code enlarged to simulate implantation profiles in up to 7 layers.
|
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Each layer can have up to 5 different elements.
|
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BUG fixed in line 1470,i.e. in calculation of scattering angle for the
|
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Moliere potential the variable rrr1 was not handled correct. The length of
|
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line 1470 was too long, RRR1 was read as RRR which has the value 0.
|
||||
Due to the fact, that all calculation based on the other interaction potentials
|
||||
(Krypton Carbon and ZBL) give more or less the same inplantation profiles, this
|
||||
bug has a minor influence to the implantation profile.
|
||||
Variables DateTime(8) = Integer array and
|
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Real_Clock(3) = Character array included for date and time output to file
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Changes for output file to UNIT 33:
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Size of character variable column enlarged from 214 to 246
|
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Program datmak7a creates input files for this TrimSp release.
|
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true calculation, i.e. indendent of bin width, of particles stopped
|
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in layers - see UpTiefe,LowTiefe,number_in_layer(7)
|
||||
INTEGER check_layer_flag : IF 1 then calculated implantation profile
|
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in the 100 depth intervals agrees with
|
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number of particles stopped in the different layers
|
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IF 0 not, message will be written in the range file
|
||||
UNIT 21 and UNIT22
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||||
Nov 2000: Tanya Riseman
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Starts porting program to Open VMS and DEC UNIX.
|
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Compile options: f90/list/warn/ext
|
||||
Minor problems with continuation characters in wrong column and
|
||||
with a few variables undeclared, mostly functions.
|
||||
Make code fit on 72 columns, because -extend_source
|
||||
does not appear to work on DEC Unix.
|
||||
Start changing strings in format and write statments so that
|
||||
strings don't straddle continuation character in
|
||||
column 6. Straddling can be non-portable!
|
||||
Comment out !DEC$REAL:8 because all
|
||||
reals are already declared REAL*8. Add implicit none.
|
||||
|
||||
Jun 2002: Thomas Prokscha PSI
|
||||
Stopped porting to f90, use f77 only.
|
||||
replaced all non-standard f77 function by standard functions.
|
||||
use ranlux random number generator from the CERN library (libmathlib.a must
|
||||
be installed) to get rid of machine specific random number generators.
|
||||
Add pre-compiler instructions for making different output for the .rge files
|
||||
on Windows and Unix.
|
||||
|
||||
Oct 2002: Thomas Prokscha PSI
|
||||
corrected error in the calculation of the Thomas-Fermi reduced energy:
|
||||
it was 1/(Z1 Z2 * sqrt( Z1**2/3 + Z2**2/3))
|
||||
it must be:
|
||||
1/(Z1 Z2 * sqrt( Z1**(2/3) + Z2**(2/3)))
|
||||
|
||||
Aug 2009: Zaher Salman PSI
|
||||
Changed input file reading to non-formatted. This still works
|
||||
with old input files, but makes it much easier to create new
|
||||
input files without the hassle of formatting.
|
||||
Included the source of ranlux for random numbers generation
|
||||
into trimsp7l source. No need for cern libraries to be installed.
|
||||
|
||||
Feb 2013: Zaher Salman PSI
|
||||
Cleaned up the code.
|
||||
When possible remove loop numbres and use do-enddo instead.
|
||||
Using proper fortran line indentation (emacs style).
|
||||
Created TimeStamp subroutine to generate time stamp and removed
|
||||
original code from main (two places)
|
||||
|
||||
Mar 2013: Zaher Salman PSI
|
||||
Started implementation of a more flexible input file format, with
|
||||
flexible number of layer, not limited to max 7.
|
||||
|
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Apr 2013: Zaher Salman PSI
|
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Implantation into structures up to 100 layers is possible
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Depth profiles with up to 500 points are now possible
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Note: The .out file contains only the first 7 layers. This is due
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Fortran formatting limitation and is unlikely to changes unless the
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layout of the output files is changed. However, for most purposes
|
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this does not affect the functionality of the simulation.
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@ -31,168 +31,6 @@ C ENERGY DISTRIBUTIONS IN SPECIFIC DIRECTIONS
|
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C ENERGY DISTRIBUTIONS IN 100 STEPS UP TO INCIDENT ENERGY
|
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C ANGULAR DISTRIBUTIONS IN STEPS OF COS = 0.05 (CONST. SOLID ANGLE)
|
||||
C
|
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C MAJOR CHANGES:
|
||||
C
|
||||
C Sep 1998: to create an executable for PC running under WIN95
|
||||
C using the DIGITAL VISUAL FORTRAN compiler (ed. Aug. 97)
|
||||
C Insertion of !DEC$REAL:8 (all REAL are REAL*8)
|
||||
C Conversion of function to double precession
|
||||
C Conversion of function to integer*4
|
||||
C Conversion of random number generator from DRAND48()
|
||||
C to DBLE(RAN(ISEED))
|
||||
C UNIT 17 (data to tape) disabled
|
||||
C UNIT 11 (input data) changed to file name EINGABE1.inp
|
||||
C UNIT 21 (output.data) changed to file name AUSGABE1.out
|
||||
C Insertion of UNIT 22 (only range data), file name AUSGABE1.rge
|
||||
C Dec 1998: Introduction of gaussian distributed projectile energies
|
||||
C new variable RI2 = random number initializer for gaussian energy distribution
|
||||
C new variable ISEED2 = random number for gaussian energy distribution
|
||||
C new variable Esig = sigma of the energy distribution
|
||||
C if Esig=0. then fixed projectile energy
|
||||
C new variable Epar = projectile energy
|
||||
C new subroutine ENERGGAUSS = for the gaussian distribution
|
||||
C new variables in subroutine p1,p2,p3, necessary for calculation of
|
||||
C the gaussian energy distribution
|
||||
C Mar 1999: LOGICAL FUNCTION EQUAL inserted. This function is used for comparision
|
||||
C of REAL*8 variables with 0.
|
||||
C OUTPUT to files AUSGABE1:
|
||||
C bug fixed for the output of the CH(i), bug was also present
|
||||
C in the original and the older version of TRIMSPP*C
|
||||
C if OUTPUT file exists then program asks for new OUTPUT filename
|
||||
C all variables are now defined as REAL*8 or INTEGER*4
|
||||
C for variable conversion from REAL to INTEGER or INTEGER to REAL
|
||||
C conversion function inserted (IDINT, DFLOTJ)
|
||||
C use of correct MIN or MAX functions
|
||||
C data initialization for all variables (like in BHam) but without
|
||||
C DATA ier/102*0/ give an error in calculation of ions stopped in layer 2 - 3
|
||||
C Unit 99 for file ausgabe1.err inserted, if and IF... (see below is true
|
||||
C then a message is included into this file
|
||||
C IF's inserted - can be found by using find WRITE(99,
|
||||
C DABS inserted for DLOG and DLOG10 arguments
|
||||
C Mai 1999: Version h
|
||||
C for TRIMSP simulations running in batch mode (i.e. to calculate
|
||||
C a serie of different range profiles using the same target an output
|
||||
C file FOR33 is created. In this file the following parameters are
|
||||
C written:
|
||||
C E0,Esig,NH,IIM,IB,IT,IRPL(1),IRPL(2),IRPL(3),fix0,sigmax
|
||||
C the FILE open statement is inserted after label 1502
|
||||
C new variable column(100)*104 and colcount inserted.
|
||||
C Mai 1999: Version i
|
||||
C tried to fix bug for variable C2 (in Do 65 loop).
|
||||
C Sometimes this variable becames smaller then 10-10 (an underflow occurs,
|
||||
C the variable C2 is NaN, variables S2 and DENS, which are directly calculated
|
||||
C from C2 are also NaN. If variable C2 is less then 10-10 then C2 is 10-10.
|
||||
C S2 and DENS are calculated with the resetted value of C2.
|
||||
C Range file (output to unit 22) slightly changed. Now the midth of a channel
|
||||
C is calculated and only the number of particles is written to the file
|
||||
C
|
||||
C
|
||||
C Jun 1999: Version j1
|
||||
C changed calculation of Firsoc screening length according to the IRCU 49 report.
|
||||
C the Andersen-Ziegler tables (file stopping.dat) are revised,i.e. the coefficients
|
||||
C from the ICRU 49 report are included for all elements (file stopicru.dat)
|
||||
C
|
||||
C PROGRAM DATMAK2c: this program creates the input files for TRIMSPP4*.
|
||||
C with this program one can change the energy,
|
||||
C the energy distribution, the number of muons, and the
|
||||
C layer thickness easily. This is for making different
|
||||
C simulations (i.e. energy scan, sigma scan, particle
|
||||
C number scan, layer thickness scan). A corresponding
|
||||
C batch file is created with this program too.
|
||||
C Nov 1999: Version j1a
|
||||
C UNIT33: now Etrans, sigmaEtrans, Eback, sigmaEback included
|
||||
C Bug fixed in line 2084, location of 'write to unit33' changed.
|
||||
C Dec 1999: Version k
|
||||
C inclusion of variables
|
||||
C tryE :how often a random energy is calculated by the random generator
|
||||
C for large E0 this number should be the same as the number of projectiles nh
|
||||
C negE :how often a negative energy is calculated by the random generator
|
||||
C tryE - negE should be nh
|
||||
C both variables are type integer, both variables included in the output file
|
||||
C and in the fort33.file
|
||||
C inclusion of alphasig: one dimensional distribution of the angle of incidence
|
||||
C if alphasig .NE. 0 THEN a gaussian distribution of alpha will be calculated
|
||||
C in the subroutine ALPHAGAUSS
|
||||
C if the calculated angle is < 0 then the absolute value is taken because of
|
||||
C the options alpha = -1 or alpha = -2 (see file TRVMC95-v4k.txt)
|
||||
C inclusion of RI3: random seed for the calculation of the gaussian distribution
|
||||
C of alpha.
|
||||
C Header line for file for33 included.
|
||||
C Jan 2000: no new version but
|
||||
C included energy scaling of particle reflection coefficients after Thomas et al.
|
||||
C NIM B69 (1992) 427
|
||||
C the calculated particle reflection coefficients prcoeff are written to the fort.33 file
|
||||
C prc is calculated if 1st layer consists only one element !
|
||||
C included constants prc(1) - prc(6)
|
||||
C Thomas-Fermi reduced energy: epsilon
|
||||
C output of E0 and Esig now in keV
|
||||
C Apr 2000: BUG fixed, Var CHM2 removed, i.e. stopping power for energies below 10 keV
|
||||
C was a little bit overestimated. now version TrimSpP4L
|
||||
C Prg Datmak4L creates input files.
|
||||
C Jun 2000: Source code enlarged to simulate implantation profiles in up to 7 layers.
|
||||
C Each layer can have up to 5 different elements.
|
||||
C BUG fixed in line 1470,i.e. in calculation of scattering angle for the
|
||||
C Moliere potential the variable rrr1 was not handled correct. The length of
|
||||
C line 1470 was too long, RRR1 was read as RRR which has the value 0.
|
||||
C Due to the fact, that all calculation based on the other interaction potentials
|
||||
C (Krypton Carbon and ZBL) give more or less the same inplantation profiles, this
|
||||
C bug has a minor influence to the implantation profile.
|
||||
C Variables DateTime(8) = Integer array and
|
||||
C Real_Clock(3) = Character array included for date and time output to file
|
||||
C Changes for output file to UNIT 33:
|
||||
C Size of character variable column enlarged from 214 to 246
|
||||
C Program datmak7a creates input files for this TrimSp release.
|
||||
C true calculation, i.e. indendent of bin width, of particles stopped
|
||||
C in layers - see UpTiefe,LowTiefe,number_in_layer(7)
|
||||
C INTEGER check_layer_flag : IF 1 then calculated implantation profile
|
||||
C in the 100 depth intervals agrees with
|
||||
C number of particles stopped in the different layers
|
||||
C IF 0 not, message will be written in the range file
|
||||
C UNIT 21 and UNIT22
|
||||
c Nov 2000: Tanya Riseman
|
||||
c Starts porting program to Open VMS and DEC UNIX.
|
||||
c Compile options: f90/list/warn/ext
|
||||
c Minor problems with continuation characters in wrong column and
|
||||
c with a few variables undeclared, mostly functions.
|
||||
c Make code fit on 72 columns, because -extend_source
|
||||
c does not appear to work on DEC Unix.
|
||||
c Start changing strings in format and write statments so that
|
||||
c strings don't straddle continuation character in
|
||||
c column 6. Straddling can be non-portable!
|
||||
c Comment out !DEC$REAL:8 because all
|
||||
c reals are already declared REAL*8. Add implicit none.
|
||||
c
|
||||
c Jun 2002: Thomas Prokscha PSI
|
||||
c Stopped porting to f90, use f77 only.
|
||||
c replaced all non-standard f77 function by standard functions.
|
||||
c use ranlux random number generator from the CERN library (libmathlib.a must
|
||||
c be installed) to get rid of machine specific random number generators.
|
||||
c Add pre-compiler instructions for making different output for the .rge files
|
||||
c on Windows and Unix.
|
||||
c
|
||||
c Oct 2002: Thomas Prokscha PSI
|
||||
c corrected error in the calculation of the Thomas-Fermi reduced energy:
|
||||
c it was 1/(Z1 Z2 * sqrt( Z1**2/3 + Z2**2/3))
|
||||
c it must be:
|
||||
c 1/(Z1 Z2 * sqrt( Z1**(2/3) + Z2**(2/3)))
|
||||
c
|
||||
c Aug 2009: Zaher Salman PSI
|
||||
c Changed input file reading to non-formatted. This still works
|
||||
c with old input files, but makes it much easier to create new
|
||||
c input files without the hassle of formatting.
|
||||
c Included the source of ranlux for random numbers generation
|
||||
c into trimsp7l source. No need for cern libraries to be installed.
|
||||
c
|
||||
c Feb 2013: Zaher Salman PSI
|
||||
c Cleaned up the code.
|
||||
c When possible remove loop numbres and use do-enddo instead.
|
||||
c Using proper fortran line indentation (emacs style).
|
||||
c Created TimeStamp subroutine to generate time stamp and removed
|
||||
c original code from main (two places)
|
||||
c
|
||||
c Mar 2013: Zaher Salman PSI
|
||||
c Started implementation of a more flexible input file format, with
|
||||
c flexible number of layer, not limited to max 7.
|
||||
c-------------------------------------------
|
||||
c check OS
|
||||
c
|
||||
@ -204,11 +42,14 @@ c
|
||||
|
||||
IMPLICIT NONE
|
||||
C These parameters are related to the maximum number of layers MAXNL
|
||||
C and define the number of points in the depth distribution MAXD
|
||||
C and maximum number of points in the depth distribution MAXD
|
||||
INTEGER MAXD,MAXD1,MAXD2,MAXD5,MAXDNL5,MAXD2p2,MAXD2meagb
|
||||
& ,MAXD2meab
|
||||
INTEGER MAXNL,MAXNL5,MAXNLp25,MAXNL5p2,MAXNLm15
|
||||
PARAMETER (MAXD=200)
|
||||
C This is the only point where the number of layers and depth
|
||||
C profile are changed. All other parameters shouold be changed
|
||||
C accordingly.
|
||||
PARAMETER (MAXD=500)
|
||||
PARAMETER (MAXNL=100)
|
||||
PARAMETER (MAXD1=MAXD+1)
|
||||
PARAMETER (MAXD2=MAXD+2)
|
||||
@ -637,7 +478,7 @@ C open statement for output files, removed from line 2449 ff to here
|
||||
OPEN(UNIT=21,FILE=outnam,STATUS='new')
|
||||
6001 OPEN(UNIT=22,FILE=rgenam,STATUS='new')
|
||||
WRITE(21,1000)
|
||||
1000 FORMAT(1H1/,6X,'* PROGRAM TRVMC95 - V TrimSP7L 17.Oct.02 TP *')
|
||||
1000 FORMAT(1H1/,6X,'* TrimSPNL 02.Apr.13 *')
|
||||
|
||||
C Get simulation start time
|
||||
CALL TimeStamp(day_start,month_start,year_start,hour_start
|
||||
@ -2825,7 +2666,14 @@ C
|
||||
#endif
|
||||
IF(YH.LT.1.D0) GO TO 603
|
||||
DO I=0,MAXD1
|
||||
C This normalization of the implantation profile is wrong if the
|
||||
C simulation does not account for all implanted projectiles,
|
||||
C e.g. when the number of points in the profile is not enough to
|
||||
C reach the maximum implantation depth.
|
||||
RIRP(I) = DBLE(IRP(I))/YH
|
||||
C To resolve this issue we need to check whether we reached maximum
|
||||
C implantation or not. If not rerun calculation with larger step
|
||||
C size!
|
||||
ENDDO
|
||||
603 D1=0.
|
||||
D2=CW
|
||||
|
||||
Reference in New Issue
Block a user