e698d295fc
Fixed some parsing errors, more waiting
2021-10-03 18:35:54 -06:00
8bddc801df
First successful compile of pair style
2021-10-03 17:55:55 -06:00
c341c2c6a9
correct platform call in kim query command
2021-10-02 20:00:53 -04:00
7110e1c15e
small format tweaks
...
- brief description should not end in a dot as it becomes a title line
- add empty line to separate title from body of description
- revert order of file/path separator constants so that the Linux version shows up in doxygen
2021-10-02 18:28:33 -04:00
a6aa3fd3ee
apply clang-format
2021-10-02 18:26:46 -04:00
69a8dfe4d9
whitespace
2021-10-02 18:12:32 -04:00
dcaed72b6d
update embedded docs
2021-10-02 17:29:21 -04:00
c6bdab8b4c
disable optimization of cputime function for MSVC++ to avoid bogus 0s reports
2021-10-02 17:29:05 -04:00
37bfe3d0ce
integrate platform sub-namespace into source code and documentation
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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
a8193f42b8
Merge branch 'master' into platform-namespace
2021-10-01 21:58:52 -04:00
0cbf70a385
make compatible with C
2021-10-01 15:24:59 -04:00
60c6669d68
Remove lammpsplugin.h from .gitignore
2021-10-01 13:21:42 -06:00
139dfd89e2
for improved C++20 compatibility
2021-10-01 15:14:53 -04:00
cc2d08506e
accelerator_*.h files should not be ignored
2021-10-01 12:55:39 -06:00
bed1ff9a95
Remove more files from .gitignore
2021-10-01 12:46:06 -06:00
61c465c6f3
simplify creation of computes in fix ipi and fix plumed
2021-10-01 14:32:19 -04:00
7e7b8acf4b
Update .gitignore
2021-10-01 12:12:53 -06:00
434c170097
apply clang-format
2021-10-01 00:58:38 -04:00
01fb33cb5d
fix memory allocation bug causing memory corruption on 32-bit arches
2021-10-01 00:57:02 -04:00
67ae6eb7b6
Merge branch 'lammps:master' into type-labels
2021-09-30 09:44:18 -04:00
f2755a8085
simplify
2021-09-30 00:40:30 -04:00
f6cb693d6b
whitespace
2021-09-30 00:40:15 -04:00
1840c51960
fmt::format() is no longer needed for this explicitly
2021-09-30 00:32:34 -04:00
359aa1d805
Merge branch 'master' into acks2_release
2021-09-30 00:26:25 -04:00
56cd66a6c3
Merge branch 'master' into parse-logical-keyword
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# Conflicts:
# src/H5MD/dump_h5md.cpp
2021-09-29 23:05:59 -04:00
c30ba70fab
Merge pull request #2957 from akohlmey/next_release_version
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Step version strings for stable release
2021-09-29 20:40:00 -04:00
8d6adfa0d1
Merge pull request #2966 from akohlmey/cmake-tweaks
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Tweaks to CMake build for portability and early detection of build problems
2021-09-29 19:46:33 -04:00
15b3e875d5
import files for platform namespace from standalone project w/o updating LAMMPS
2021-09-29 16:29:25 -04:00
a5ed701908
make Nevery keyword per-reaction
2021-09-29 14:40:22 -04:00
dd4b195552
silence compiler warnings
2021-09-29 14:04:01 -04:00
32049c3484
adopt for new multispecies PACE implementation
2021-09-29 16:04:09 +02:00
8a35ea05bc
Prevent neigh list from copying "unique" stencil/bin
2021-09-28 15:33:44 -06:00
b3c8f85ff9
make sure the one_coeff flag is applied to sub-styles
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since the check for Pair::one_coeff was moved to the Input class (to
reduce redundant code), hybrid substyles could "escape" that requirement.
Thus checks have to be added to the hybrid coeff() methods.
2021-09-28 04:39:46 -04:00
53e227766a
make "make package-update" and "make package-overwrite" less verbose
2021-09-27 18:01:37 -04:00
09e0214f7d
remove references to USER packages, have package lists alphabetically sorted
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"make package-update" or "make pu" must be processed in the special order
because of inter-package dependencies
2021-09-27 18:01:01 -04:00
be3468ae07
Trying to fix style error
2021-09-27 16:31:48 -04:00
395e22457c
add -std=c++11 to a number of machine makefiles for traditional make build
2021-09-27 16:28:55 -04:00
6447bd822c
fixed fene_nm
2021-09-27 11:23:53 -04:00
ea030c6dd8
Merge branch 'master' into collected-small-changes
2021-09-26 18:12:40 -04:00
f3b1da83f7
Merge pull request #2956 from stanmoore1/kk_eam_alloy
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Fix bug in Kokkos pair_eam_alloy on GPUs
2021-09-26 17:57:03 -04:00
b1d65f001e
Merge pull request #2949 from ellio167/kim-print-dirs
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Add log file printing of KIM search directories in 'kim init'
2021-09-26 16:34:15 -04:00
b24079fe33
cleaner variant of version check, add directory numbering
2021-09-26 11:24:03 -04:00
18a3728800
Adjust for kim-api bug
2021-09-26 08:36:02 -05:00
184e5fd779
step version strings for stable release
2021-09-25 23:04:53 -04:00
0534d98987
update .gitignore for recent additions
2021-09-25 15:54:33 -04:00
64cfd90eeb
apply current include file conventions
2021-09-25 13:36:39 -04:00
6f87b1236a
cosmetic
2021-09-25 10:42:52 -04:00
53e773e438
calling fwrite() with a null pointer causes undefined behavior. avoid it.
2021-09-25 10:18:55 -04:00
1435a96d6e
Fix bug in Kokkos pair_eam_alloy
2021-09-25 07:20:24 -06:00
faf9c1532a
issue with EVAL command
2021-09-24 16:26:57 -06:00
