Commit Graph

9806 Commits

Author SHA1 Message Date
41e834d27f pair style gauss *does* support pair_modify shift 2023-01-30 06:12:45 -05:00
3756520078 Merge branch 'develop' into collected-small-fixes 2023-01-26 21:48:42 -05:00
3bcb59b284 Minor typo in docs 2023-01-26 18:24:39 -07:00
3a418290be Merge branch 'develop' into collected-small-fixes 2023-01-26 17:33:08 -05:00
866cf8ae60 Merge branch 'develop' of https://github.com/lammps/lammps into msmeam-adr 2023-01-26 15:10:30 -07:00
b6a9e47494 update false positives 2023-01-26 16:22:40 -05:00
b48d483fd6 Merge branch 'develop' into msmeam-adr
# Conflicts:
#	src/MEAM/pair_meam.cpp
2023-01-26 15:46:34 -05:00
b7f2c3feda convert "ms" pair style flag for MEAM into meam/ms pair style 2023-01-26 15:23:31 -05:00
210ec9d164 reformat 2023-01-26 11:59:20 -05:00
b905f6a239 Merge branch 'develop' into yotamfe/develop 2023-01-26 11:47:32 -05:00
83fc0f16f5 rephrasings for output information 2023-01-26 17:10:45 +02:00
15316f8e5e add documentation for the vector values fix_pimd returns, and the rest of the restart, modify etc. section 2023-01-26 15:57:47 +02:00
83f6b6aa40 Merge pull request #3603 from jrgissing/reaxff-species-delete-rate
reaxff/species delete rate limit
2023-01-25 13:25:34 -05:00
93b96f7cbf Merge branch 'develop' into reaxff-species-delete-rate 2023-01-25 05:31:04 -05:00
6c63d7dcb9 single precision FFTs are now supported on the CPU 2023-01-24 22:54:47 -05:00
b17689af6b doc fixes 2023-01-24 21:28:08 -05:00
64b5ad8966 Merge branch 'develop' into amoeba-gpu 2023-01-24 20:22:59 -05:00
ab83b31ce2 Document changes 2023-01-24 13:05:47 -07:00
8b897e1fed fix spelling errors 2023-01-23 17:46:33 -05:00
1e9d6def77 Update Developer_grid.rst
Fixed butchered sentence.
2023-01-23 14:58:00 -07:00
27da716852 getting out of the insurance business :-) 2023-01-23 16:45:41 -05:00
379c88b5af Merge branch 'develop' into collected-small-changes 2023-01-23 11:52:06 -05:00
39f776ae86 some more languagtool.org suggested updates 2023-01-23 05:15:34 -05:00
658328dd9d Added a note in the amoeba doc page on the not-yet resolved issue with integrated GPUs, removed commented out and debugging stuffs in the AM/HP kernels 2023-01-22 17:24:15 -06:00
c06470ca33 more revisions based on suggestions from languagetool.org 2023-01-22 16:53:39 -05:00
f65f79ef82 revise based on suggestions from languagetool.org 2023-01-22 09:50:27 -05:00
57349b042e one more pass at revising the introductory pages of the LAMMPS manual 2023-01-21 16:23:23 -05:00
af8c091ed5 add image to the cover page of the PDF version of the manual 2023-01-21 15:58:10 -05:00
a95f6d7aa0 update header 2023-01-21 11:19:04 -05:00
671b2b80fc fix typo 2023-01-21 07:59:09 -05:00
d5a8674c00 avoid creating __pycache__ folders outside of the docenv tree 2023-01-21 05:02:09 -05:00
49b354bb6a small update for Installation overview 2023-01-21 04:24:04 -05:00
c3b1c661a8 small tweaks to the "breadcrumbs" part of the theme to avoid double inserting a separation character 2023-01-21 04:18:24 -05:00
3f34f54847 add page about portability 2023-01-20 23:40:41 -05:00
03b532db4a add false positive 2023-01-20 22:53:29 -05:00
ca1a8eb933 clarify, mention versionadd/changed markers 2023-01-20 22:50:39 -05:00
aab02da72d remove obsolete links, links to point back to the manual, updates 2023-01-20 22:50:18 -05:00
29689d6902 some more updates for LAMMPS features 2023-01-20 22:49:44 -05:00
e2773ea3d2 some updates 2023-01-20 22:48:36 -05:00
a6667f1b2c Minor tweaks to potentials 2023-01-20 18:45:19 -07:00
7ce59e775a Minor tweaks to potentials 2023-01-20 18:43:36 -07:00
cf033780cc add false positive 2023-01-20 19:15:20 -05:00
694b1b5748 remove Fortran library based MESONT styles and the library itself 2023-01-20 19:12:42 -05:00
fd48702797 update some overview doc pages 2023-01-20 19:05:13 -05:00
ef692258b4 Merge pull request #3532 from stanmoore1/kk_occupancy
Update Kokkos version in LAMMPS to 3.7.1
2023-01-20 17:52:05 -05:00
13d4344999 Merge branch 'develop' of github.com:lammps/lammps into kk_occupancy 2023-01-20 07:32:46 -07:00
bebf79ec92 reaxff species delete_rate_limit keyword docs 2023-01-20 00:41:56 -05:00
3ae2805316 add option variable to CMake build to select GPU library debug 2023-01-19 07:06:29 -05:00
62d5ffd5c9 add versionadded not to fix reaxff/species delete keyword 2023-01-18 16:06:01 -05:00
79cadef4ba Re-running CMake is now automatic for almost anybody. 2023-01-18 16:06:01 -05:00