salman
f2184d2310
Clarify TrimSP helper routines
2026-04-14 17:28:23 +02:00
salman
7115fd3b04
Add comments to TrimSP Fortran core
2026-04-14 17:25:34 +02:00
salman
2a01fbcbde
Changed array sizes to be able to compile with mcmodel=medium and produce statically linked binary. Max rge points 500, max layers 60 and max elements per layer 12.
2023-01-26 22:18:59 +01:00
salman
b1f3ecd5b0
First working implementation of more than 5 elements.
2023-01-25 16:40:13 +01:00
salman
687537eb45
More fortran code optimizations and cleanup.
2023-01-25 14:38:51 +01:00
salman
2f0d2fafa1
Optimize fortran code and make it more readable. Omit multiple loops on the layer and fold everything in one loop.
2023-01-25 10:35:21 +01:00
salman
f690462446
Ground work for larger number of elements.
2023-01-24 15:43:08 +01:00
salman
9958c12717
Multiple elements feature started.
2023-01-24 09:49:19 +01:00
salman
a584605c6d
Final touches for chemical formula feature.
2023-01-23 15:26:51 +01:00
salman
587c20636e
Removed support for old input file format.
2023-01-23 13:05:32 +01:00
salman
b391a15c92
Finished including chemical formula in input file. Bump version.
2023-01-22 10:52:48 +01:00
salman
837b3e858e
Insert chem formula in input/output files of fortran code.
2023-01-20 16:01:58 +01:00
salman
f9b5cbff7a
Add chem formula to input file
2023-01-20 15:34:55 +01:00
salman
74a2668a2e
Add new staticly linked binary.
2023-01-17 12:47:51 +01:00
salman
8f8def70f2
Add ToDo.txt and meaning-of-params.txt
2023-01-09 11:42:55 +01:00
salman
b35fabe853
Cannot compile with large MAXD
2023-01-04 10:32:46 +01:00
salman
281f4e1e02
Merge branch 'master' of bitbucket.org:zaher-salman/trimsp
2023-01-04 09:50:44 +01:00
salman
87682645bc
Different path handeling
2023-01-04 09:50:29 +01:00
ext-mcfadd_r
f3302ad5be
better formatting of *.rge output
...
- increase both the width & decimals when formatting the bin centres
- this fixes a "rounding" bug in the formatting of bin centres when small depth increments (e.g., <= 1 angstrom) were used.
2022-12-31 17:05:13 -04:00
ext-mcfadd_r
7fc4cb06e7
Merge branch 'master' of https://bitbucket.org/zaher-salman/trimsp
2022-12-29 18:48:15 -04:00
salman
bea03ac0cf
Adjust GUI to accept chemical formulae with floats instead of intigers
2022-09-21 17:11:00 +02:00
salman
9724c86a40
Add some comments to the file. Old input file format to be phased out by end of 2022.
2022-09-21 10:03:46 +02:00
salman
630f3b742d
Added He projectiles.
2022-09-16 20:06:12 +02:00
ext-mcfadd_r
b9029a33b3
increase the maximum number of points in the depth distribution
...
- this mitigates the liklihood of truncated output when the "bin"
size is small (e.g., < 1 nm).
- an additional compiler flag is needed for this (-mcmodel=medium),
which relaxes some of the assumptions about addresses and sizes
of sections in the generated code. See:
https://gcc.gnu.org/onlinedocs/gcc/x86-Options.html
- improve the Makefile during the update, too.
2021-09-30 09:17:20 -07:00
ext-mcfadd_r
14629e0e1e
add optimizations when compiling trimspNL
...
- this shortens the runtime a simulation significantly (by a factor of ~2).
- the output from trimspNL is identical to when no optimizations are used
2021-09-29 12:51:54 -07:00
salman
ca075e7619
Added fortran code
2021-06-08 15:30:15 +02:00
salman
ext-mcfadd_r