631f33feb5
remove redundant calls
2022-08-10 06:57:59 -04:00
5c589dbe20
add -nonbuf / -nb command line flag to disable buffering for screen and logfile
2022-08-09 15:52:47 -04:00
b5d5654399
Merge branch 'develop' into long-string-variables
2022-07-02 11:30:16 -04:00
39b01a901f
print warning when using I/O redirection with parallel runs
2022-07-02 11:30:09 -04:00
12d6983c9b
more example bug fixes
2022-06-15 17:08:54 -06:00
a5745d925a
new examples and debugging code changes
2022-06-14 17:29:01 -06:00
01bd3d1da0
add functionality to auto-load plugins
2022-03-11 05:52:26 -05:00
d391ae845b
convert static class members with git info to functions to simplify auto-export on Windows
2022-01-27 17:20:05 -05:00
3dcfc0dfc6
skip redundant KOKKOS host/device styles info/help lists
2021-12-22 20:13:30 -05:00
1247f4d67b
add function to print information about available compressions tools
2021-10-26 20:00:55 -04:00
1cd0551197
more direct version of clearing out loaded plugins
2021-10-19 08:27:49 -04:00
f9e99f1f4c
wipe out all loaded plugins before destroying the LAMMPS instance
2021-10-18 18:04:04 -04:00
26b368848b
Add support for an "Update #" appendix to the version string
...
This is for informative output only, so that any code depending
on the LAMMPS_VERSION define will not have to be changed and no
warnings will be printed etc.
2021-10-17 18:06:29 -04:00
47523da16b
allow single precision FFT introspection
2021-10-15 20:03:39 -04:00
afad3f42d5
Report only compatible GPU, i.e. no GPU if mixed/double precision is requested by the hardware does not support it
2021-10-13 21:15:16 -04:00
50d997526c
a few more MSVC++ tweaks for improved compatibility and fewer warnings
2021-10-06 16:18:21 -04:00
8b36061db4
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
ee594a879b
make use of platform::putenv()
2021-10-04 22:39:43 -04:00
40f683c1a7
use platform functions to handle piping help output to a pager when on a console
2021-10-04 18:14:21 -04:00
37bfe3d0ce
integrate platform sub-namespace into source code and documentation
...
this updates function calls to functions that have been moved from
the utils namepsace or the Info class to platform::
2021-10-02 16:55:11 -04:00
f641b1c659
final chunk of changes to apply utils::logical()
2021-09-23 07:30:40 -04:00
914f035475
a few more converted commands and updates for unit tests
2021-09-21 17:23:41 -04:00
6227396afd
for consistency with utils::logical()
2021-09-21 14:15:23 -04:00
12406b90a1
more iwyu header updates
2021-09-18 21:24:01 -04:00
bca99f684f
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
5a6c1abeed
dead code removal
2021-09-17 22:53:59 -04:00
a71b77c06e
simplify. use utils::strdup() more.
2021-09-17 22:51:59 -04:00
e2b44e89a7
Merge pull request #2927 from akohlmey/docs-update
...
Update documentation for the stable release
2021-09-09 23:03:12 -04:00
a4735628f9
document flags that were missing in the man page and the help message
2021-09-07 19:11:51 -04:00
3f83c8397d
windows needs io.h for _isatty()
2021-09-07 10:21:00 -04:00
6290054e52
forgot to update lammps.cpp
2021-09-03 11:37:03 -04:00
f768b701ee
add -skiprun command line flag that sets a timeout so that run and minimizations loops are skipped
2021-09-03 11:21:42 -04:00
9c2b96286f
print GPU available info only when GPU package is included
2021-08-27 20:32:22 -04:00
e29bd3d157
update defines from -DLMP_USER-<PKG> to -DLMP_<PKG> for consistency
2021-08-06 14:07:43 -04:00
878795e64a
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
1dc25b0e10
rename USER-OMP to OPENMP
2021-06-29 17:48:22 -04:00
14f0c215eb
make console detection smarter and don't use a pager at all with OpenMPI
2021-05-28 14:09:32 -04:00
a660f286b1
internally forward LAMMPSHOME environment variable, if present, to PYTHONHOME
2021-05-27 12:39:25 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
7a8cd4694a
document -mdi flag in help message
2021-05-15 18:12:03 -04:00
d8291eea7b
Merge branch 'master' into prepare-clang-format
...
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
a687868c69
finalize available GPU hardware introspection functions
2021-05-10 16:34:27 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
6b04ebd617
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
e9e0bb71b6
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
65cef12ae2
print compiled in accelerator configuration with ./lmp -h
2021-04-22 16:10:51 -04:00
d3123dd5c3
Feb2021 GPU Package Update - Core LAMMPS Files
2021-02-15 08:37:38 -08:00
6e11dee2f1
Merge branch 'master' into citation-refactor
...
# Conflicts:
# doc/src/fix_bond_react.rst
2021-02-05 13:42:23 -05:00
1da3ba87f4
use -mpicolor flag as documented (and not -mpi). closes #2575
2021-02-02 14:12:46 -05:00
d3c14dcb51
update citation output to more closely resemble what had been proposed
2021-01-08 18:28:29 -05:00
