Commit Graph

2856 Commits

Author SHA1 Message Date
8874fd4cbf Merge branch 'develop' into cmake-cpp-std-deprecation 2024-10-04 16:03:01 -04:00
01468e2720 Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes 2024-10-04 01:41:57 -04:00
6d8529f1f7 Merge branch 'develop' into collected-small-changes 2024-10-04 01:24:30 -04:00
d1a1a57bd9 Merge pull request #4339 from jtclemm/small-patches
Fixing bugs in GRANULAR and mistakes in RHEO documentation
2024-10-03 22:01:21 -04:00
e06be9b030 propagate new c++ standard handling from main CMakeLists.txt to plugin version 2024-10-03 15:39:33 -04:00
4ee07bcdaf Recreate dump file for MS-MEAM due to changes to the code. 2024-10-03 11:54:26 -06:00
a1bb42bd6e Merge remote-tracking branch 'github/develop' into collected-small-changes 2024-10-02 19:29:35 -04:00
8a7572fd5a Merge pull request #4181 from gplummer317/ctip
Charge Transfer Interatomic Potential (CTIP) pair style and qeq fix
2024-10-02 19:26:09 -04:00
53914162a7 rename log file to match expected naming scheme 2024-10-01 00:24:40 -04:00
2749e091c7 update nemd example so it is reproducible 2024-09-30 22:10:00 -04:00
ba071fe55a Merge branch 'develop' into small-patches 2024-09-27 15:30:31 -06:00
65cacc7ef4 recreate log files for MS-MEAM due to changes to the code. 2024-09-27 14:29:05 -04:00
2c2eb31362 Updating example logs affected by fix pour 2024-09-25 15:39:44 -06:00
12b67e0fd1 update ASPHERE/line example to follow conventions and avoid crashes. 2024-09-21 17:48:17 -04:00
3902215018 add lammps_expand to plugin wrapper 2024-09-20 03:56:19 -04:00
58272bca00 move and update ctip example 2024-09-12 00:17:21 -04:00
5a12c762f3 Merge branch 'develop' into ctip 2024-09-11 23:36:16 -04:00
94e3351e4f Merge pull request #4308 from lammps/quick-regression
Add a quick and full regression test as GitHub Actions
2024-09-10 23:28:49 -04:00
6488fd2a48 reorganize example, potentials, logfiles 2024-09-10 21:14:52 -04:00
48689d1925 Merge branch 'develop' into ctip 2024-09-09 20:46:09 -04:00
95cb7d7dd8 Merge branch 'develop' into quick-regression 2024-09-05 17:23:52 -04:00
e240619b94 update pace plugin loader to include the two additional styles added 2024-09-03 22:30:32 -04:00
591d20b00d Merge branch 'develop' into quick-regression 2024-08-31 23:16:27 -04:00
9d9e591b54 first try at implementing lammps_extract_atom_size() 2024-08-30 22:50:42 -04:00
af5f437aeb update list of dependencies 2024-08-28 15:30:44 -04:00
acfed12684 avoid recursion. there is only one executable. 2024-08-28 15:12:46 -04:00
4e8c1f3284 Merge branch 'develop' into plumed-plugin 2024-08-28 14:28:05 -04:00
f5ffb28a1f use the log file with 1 proc in serial runs, removed examples/bpm/impact/brokenDump 2024-08-28 12:57:58 -05:00
98b4771ed6 sanity check 2024-08-27 17:18:01 -04:00
49d664583a correct define 2024-08-27 17:00:42 -04:00
dc66929e65 Merge pull request #4293 from jrgissing/bond_react_fixes_summ24
Bond/react: fixes and error checking
2024-08-26 10:45:32 -04:00
d1f141c962 Merge branch 'develop' into plumed-plugin 2024-08-26 04:17:04 -04:00
e94d32e7d3 clean up tiny_nylon example 2024-08-25 14:19:17 -04:00
b4eb027851 Merge pull request #4289 from lammps/grid-debug
Fix 2 bugs with distributed grids
2024-08-21 17:21:35 -04:00
92abea3372 Merge pull request #4273 from jtclemm/small-patches
Few small patches to BPM, RHEO, and GRANULAR packages
2024-08-21 16:33:28 -04:00
d1fb321eae Merge branch 'develop' into small-patches 2024-08-21 16:04:40 -04:00
a541873b41 2 bug fixes 2024-08-21 10:28:24 -06:00
047d1010a0 Merge branch 'develop' into plumed-plugin 2024-08-20 11:09:18 -04:00
3ebdc04aac Merge branch 'develop' into regression-tests 2024-08-19 17:50:43 -04:00
12016be69a update log file 2024-08-16 17:36:19 -04:00
4aaf7d7098 fix LATBOLTZ example 2024-08-16 14:51:29 -04:00
e4a654c7cd fix typo 2024-08-16 12:49:09 -04:00
56d0d7c1c2 Updating log file 2024-08-13 15:28:06 -06:00
5bcfed5fce symlink potentials 2024-08-12 22:02:57 -04:00
a4bff8988b add missing potentials via symlinks 2024-08-12 21:55:13 -04:00
633ff19ab9 fix up some EFF inputs and create conventional log files 2024-08-12 21:51:59 -04:00
2115ac8971 use compliant box creation for 2d 2024-08-12 21:25:42 -04:00
8a77949db2 cleanly demo/test using restart files without leaving binary files behind 2024-08-12 21:19:46 -04:00
462e9756ce fix box dimensions to comply with stricter requirement for 2d geometries 2024-08-12 10:54:00 -04:00
b5929be883 Merge conflicts 2024-08-09 15:38:19 -06:00