Commit Graph

43908 Commits

Author SHA1 Message Date
727c0b251a Clarifying exception in fix deform doc 2025-06-23 20:35:53 -06:00
b94c41c05a Fixing some static code analysis issues in RHEO 2025-06-23 20:35:36 -06:00
e9a578a212 t status
Merge branch 'develop' into rheo
2025-06-23 19:50:29 -06:00
b3f160c118 Merge pull request #4567 from lammps/fix-set-command
New fix set command
2025-06-04 19:40:29 -04:00
ece4939708 Merge branch 'develop' into fix-set-command 2025-06-04 16:22:45 -04:00
0fb02af020 Merge pull request #4599 from akohlmey/collected-small-fixes
Collected small fixes and updates
2025-06-04 14:42:06 -04:00
3f58927829 one more correction 2025-06-04 12:22:43 -04:00
b73f78ea88 update libvoro++ patch 2025-06-04 12:20:29 -04:00
ba8dd4d380 only build the voro++ library when downloading 2025-06-04 12:10:58 -04:00
ddb6bb2cfb adjust to include new build of gcc/musl cross-compiler 2025-06-04 09:57:14 -04:00
b509c53003 small improvement 2025-06-04 09:56:53 -04:00
ba093790fc remove tabs 2025-06-03 21:57:41 -04:00
87cf0f964e use common container for Linux release tasks 2025-06-03 02:35:23 -04:00
f9003e6a16 revert to single defition of LAMMPS integer sizes to be applied to GPU library 2025-06-02 23:47:08 -04:00
deef742897 make attempt_swap valgrind clean. now fails in pair->compute(). 2025-06-02 22:19:09 -04:00
6a2e796538 make fix neighbor/swap valgrind clean 2025-06-02 21:30:56 -04:00
3086e6e0ec Merge branch 'develop' into collected-small-fixes 2025-06-02 20:50:45 -04:00
117a451b15 Merge pull request #4597 from akohlmey/cmake-adjustments
Small CMake  updates
2025-06-02 20:47:40 -04:00
8a8fc2f1d8 apply -DLAMMPS_${LAMMPS_SIZES} consistently across all platforms 2025-06-02 20:29:00 -04:00
688800038a force skip MPI for C++ setting into cache 2025-06-02 20:14:11 -04:00
07f650a982 try to work around compilation issues 2025-06-02 17:02:38 -04:00
60c33bfb95 correct typos 2025-06-02 16:37:21 -04:00
23694ee4f5 Merge branch 'develop' into cmake-adjustments 2025-06-02 16:06:53 -04:00
1fc8e05642 roll back changes switching from MPI::MPI_CXX to MPI::MPI_C 2025-06-02 15:48:40 -04:00
1fae7e3f98 remove support for obsolete MPICH library binaries for Windows 2025-06-02 15:47:35 -04:00
52f8d1d5a1 Merge branch 'develop' into collected-small-fixes 2025-06-01 11:41:11 -04:00
b5cf8eb9ed Merge pull request #4610 from akohlmey/minimum_image_flerr
Improve minimum image error messages
2025-06-01 11:38:34 -04:00
17ed72f99b show use of Domain::minimum_image_big() in second example block 2025-05-31 23:36:36 -04:00
ed535e5301 fix minimum image bug detected by GitHub Copilot 2025-05-31 23:34:41 -04:00
c663a5ac1c undo substitution in comment 2025-05-31 17:06:14 -04:00
5ea7bec083 update ATC library for minimum image API change 2025-05-31 03:18:42 -04:00
b05f5f8e3a add info about updating old source packages for minimum image API change 2025-05-31 02:56:25 -04:00
2599f9ddb0 spelling 2025-05-31 02:55:46 -04:00
2cc7c71ebc add info about updating old source packages for minimum image API change 2025-05-31 02:54:42 -04:00
d7cee3e71d remove undesired "generated" tag 2025-05-31 02:31:25 -04:00
9d81246761 add FLERR as first argument to Domain::minimum_image() and Domain::minimum_image_big() 2025-05-31 02:28:53 -04:00
290f409cf8 improve / modernize more error messages in the read_data command 2025-05-30 16:44:33 -04:00
7bed09c25a Bugfix from Trung for running EAM on GPUs with OpenCL. 2025-05-30 16:41:44 -04:00
68ce9c8a6f modify C++23 compilation workflow to test both GCC and Clang 2025-05-30 06:12:12 -04:00
e43acf24ea small optimization 2025-05-30 01:20:32 -04:00
765701b924 Merge remote-tracking branch 'github/develop' into collected-small-fixes 2025-05-30 01:15:48 -04:00
5b65c4938f avoid problems with consteval 2025-05-29 23:43:02 -04:00
8f56874d07 Merge pull request #4527 from martok/fix-gauss
Add fix ave/moments
2025-05-29 15:22:10 -04:00
06af3b8c4a Fix typo in doc/src/fix_ave_moments.rst
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-05-29 14:39:39 -04:00
66c2e4f324 improve documentation of moment corrections 2025-05-29 14:27:16 +02:00
8f9806ec72 remove / comment-out unused parameters 2025-05-29 06:36:03 -04:00
13304707aa add missing override 2025-05-29 06:30:24 -04:00
cea8d22a87 remove undocumented and unused define and related unused array 2025-05-29 06:30:15 -04:00
f839532cf6 silence compiler warnings 2025-05-29 05:37:01 -04:00
f12d1d3c5b we only need the MPI C library support for loading liblammps.so dynamically 2025-05-29 05:34:51 -04:00