Commit Graph

40958 Commits

Author SHA1 Message Date
d27026c364 Update fix_nve_limit.rst 2024-10-04 13:05:26 -04:00
39def85b48 Update fix_cmap.rst 2024-10-04 13:04:52 -04:00
130548156d Merge branch 'develop' of github.com:lammps/lammps into alphataubio-kokkos-fixes 2024-10-04 09:30:33 -06:00
2ae4062a6b Merge pull request #4343 from akohlmey/collected-small-changes
Collected small changes and fixes
2024-10-04 03:59:49 -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
1263a23e9c Merge pull request #4345 from akohlmey/update-fmtlib
Update embedded copy of libfmt to version 11.0.2
2024-10-04 01:22:51 -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
13ceebe82c fix recenter test skipped for respa 2024-10-03 18:45:52 -04:00
70dad28481 Update fix_recenter.cpp 2024-10-03 18:45:12 -04:00
1799f887d2 Update test_atom_styles.cpp 2024-10-03 18:36:39 -04:00
59db2e0af8 Update atom_vec_template.cpp 2024-10-03 18:35:28 -04:00
86fc79d2de Update fix-timestep-wall_lj93_const.yaml 2024-10-03 18:20:09 -04:00
6f068fc067 Update fix-timestep-wall_region_harmonic.yaml 2024-10-03 18:19:53 -04:00
bf12caf37a Update fix-timestep-wall_region_lj126.yaml 2024-10-03 18:18:02 -04:00
c059961b8f Update fix-timestep-wall_region_lj1043.yaml 2024-10-03 18:17:39 -04:00
81db0a4a80 Update fix-timestep-wall_region_morse.yaml 2024-10-03 18:16:41 -04:00
0e10ed24fe fix compilation issue with MSVC++ 2024-10-03 15:19:56 -04:00
f25c530c04 recover compilation with MSVC++ 2024-10-03 14:56:28 -04:00
fbc6ba4ef4 import libfmt 11.0.1 2024-10-03 14:43:19 -04:00
4ee07bcdaf Recreate dump file for MS-MEAM due to changes to the code. 2024-10-03 11:54:26 -06:00
2c2ce1b327 Update create_atoms.cpp 2024-10-03 13:15:13 -04:00
9ad3e59c8f Update test_atom_styles.cpp 2024-10-03 12:38:32 -04:00
5c8552f4ce Update atom_vec_template.cpp 2024-10-03 12:21:10 -04:00
3c5b4ebccb Delete charmm36.py 2024-10-03 11:43:08 -04:00
4b43f90bd6 revert changes requested by @akohlmey 2024-10-03 11:39:24 -04:00
b5fdd8f0ae Revert "update atom_style template test for added charge"
This reverts commit 3ea74b1725.
2024-10-03 10:26:24 -04:00
29eafa999b Update src/region_sphere.h
Co-authored-by: Axel Kohlmeyer <akohlmey@gmail.com>
2024-10-03 09:49:56 -04:00
9c06e8265f Update src/create_atoms.cpp
Co-authored-by: Axel Kohlmeyer <akohlmey@gmail.com>
2024-10-03 09:48:12 -04:00
a9dd61f62e detect C++23 standard 2024-10-03 07:38:44 -04:00
adebe773d0 bump check to C++23 and rename workflow file 2024-10-03 07:26:40 -04:00
e4aedfda85 add test for C++20 compatibility 2024-10-02 21:56:15 -04:00
7e02951fc4 disable making functions in libfmt consteval with C++20 and beyond 2024-10-02 21:48:54 -04:00
0f8b825424 fix up spelling issues in CTIP 2024-10-02 19:43:43 -04:00
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
cac22c216a update kk index entries 2024-10-02 14:37:03 -04:00
26aadc25ad Update fix_cmap.rst 2024-10-02 14:31:54 -04:00
26b83602be Update Commands_fix.rst 2024-10-02 13:56:21 -04:00
8a25871db5 Update region.rst 2024-10-02 13:45:59 -04:00
fff1456553 Update fix_wall_region.rst 2024-10-02 13:43:23 -04:00
89346740e1 Update fix_recenter.rst 2024-10-02 13:42:13 -04:00
a8acd9b573 Update fix_nve_limit.rst 2024-10-02 13:41:41 -04:00
e61d9f08ee regenerate fix wall/region tests 2024-10-01 13:00:59 -04:00
8332d89a4a regenerate fix recenter tests 2024-10-01 12:46:33 -04:00
384d8cf51f compute_vector() bugfix 2024-10-01 12:43:57 -04:00
51e273affd punt drude too 2024-10-01 03:30:05 -04:00
e32a2fa71a punt again 2024-10-01 02:39:17 -04:00
e29b06095d remove whitespace 2024-10-01 02:36:22 -04:00
91fc94fc1e Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes 2024-10-01 02:31:56 -04:00