Commit Graph

7403 Commits

Author SHA1 Message Date
3b9799410b synchronize list with Build_extras.rst 2022-12-30 06:35:45 -05:00
f9a398c9a8 add to list 2022-12-30 06:33:10 -05:00
b0e8ec47da update manual for linalg being C++ now. 2022-12-28 13:45:13 -05:00
5dbb0e7455 update format of rst files 2022-12-27 21:30:11 -05:00
b28607234e update rst file formatting. work around duplicate target issue. 2022-12-27 21:29:37 -05:00
52fcd08e1c reformat colvars related docs. add false positive for spellchecker 2022-12-27 21:15:33 -05:00
d10e7195dc add missing entries for dihedral style lepton 2022-12-27 21:13:34 -05:00
24b16cf130 More updates to fix colvars doc 2022-12-27 20:27:38 -05:00
afae6222b0 Update build instructions for COLVARS package 2022-12-27 20:02:44 -05:00
7fb9ee1147 clarify 2022-12-27 10:29:25 -05:00
e55396a25d fix typo 2022-12-26 16:47:37 -05:00
a5742a9147 make lepton package docs more consistent 2022-12-26 16:45:49 -05:00
5a99cf0dd5 add dihedral style lepton including /omp variant 2022-12-26 16:44:49 -05:00
e9dbdc7d1a clarify and reformat 2022-12-26 06:34:53 -05:00
63ddb07c59 add versionadded tags 2022-12-25 07:04:20 -05:00
4ac830bf73 add dihedral_write command 2022-12-25 07:01:37 -05:00
bbfc7381fb updates and corrections for docs 2022-12-25 06:54:53 -05:00
4ee8dea4b3 improve bond_write docs and fix minor issues 2022-12-24 23:05:47 -05:00
da98363a25 implement angle_write command 2022-12-24 22:52:16 -05:00
24e5fafd7f more documentation tweaks and corrections. make consistent across package styles 2022-12-24 15:38:58 -05:00
be01ec2e07 document variable substitution 2022-12-24 05:53:18 -05:00
93cfa6ef30 fix typo. more clarifications 2022-12-24 01:16:51 -05:00
3d7082499d update docs to include angle style lepton 2022-12-23 16:07:14 -05:00
a2af2b4135 add versionadded tags 2022-12-23 12:15:36 -05:00
ea0a91f2bc Merge branch 'develop' of https://github.com/lammps/lammps into kk_occupancy 2022-12-23 08:54:23 -07:00
8a2257f568 remove the obsolete legacy fortran 77 wrapper. update Fortran section of manual. 2022-12-23 06:56:07 -05:00
b67dcd7ca3 small tweaks 2022-12-23 06:30:00 -05:00
09871a0178 mention JIT 2022-12-22 23:32:06 -05:00
ae8f03803c Merge branch 'develop' into lepton-package 2022-12-22 22:52:20 -05:00
5b42064fcf add docs for lepton pair and bond style 2022-12-22 22:50:24 -05:00
a7a5a83308 minor tweaks 2022-12-22 15:49:11 -05:00
d9b1e318e8 add documentation for LEPTON package and lepton pair and bond style 2022-12-22 15:48:24 -05:00
d4af1834ec Update dump.rst 2022-12-22 10:44:03 -07:00
90cf1d6fca update VMD compatibility info, too. 2022-12-22 12:25:49 -05:00
01c2bca67d Merge branch 'fix-kokkos-4' of github.com:crtrott/lammps into kk_occupancy 2022-12-22 09:24:21 -07:00
0b7a55dac6 OVITO info in dump doc page 2022-12-22 08:11:22 -07:00
8b8c0ee72d Merge pull request #3567 from akohlmey/next_patch_release
Set version strings for next patch release
2022-12-22 09:16:33 -05:00
6edcd995af Merge branch 'develop' into fix-kokkos-4 2022-12-21 12:31:50 -05:00
3137122476 remove kokkos numa option and its documentation 2022-12-21 12:31:32 -05:00
0460649d5b add note about porting legacy code to the new Grid3d/Grid2d classes 2022-12-20 19:27:56 -05:00
a235cd4719 mention type labels in bond/react docs 2022-12-20 14:02:46 -05:00
4309e0a6c8 Added important restriction on number of atom types 2022-12-20 11:55:24 -07:00
cc34cfb917 add missing entry to list 2022-12-20 10:57:38 -05:00
2e6b975878 update version tag placeholders for added, removed, or changed functionality 2022-12-19 22:11:06 -05:00
457746dadc Merge branch 'develop' into collected-small-changes 2022-12-19 19:45:04 -05:00
5deb6df2ad Merge pull request #3547 from hammondkd/fortran-fix-external
Completing the Fortran interface
2022-12-19 18:44:45 -05:00
3e9bb99daa Merge branch 'develop' into collected-small-changes to resolve merge conflicts 2022-12-19 12:42:09 -05:00
72b0a2dfdf Merge pull request #3405 from lammps/distributed-grids
Support for distributed grids
2022-12-19 12:06:25 -05:00
cc94770928 correct order of coefficients in pair style dpd/ext docs 2022-12-18 10:57:32 -05:00
00f8d2b96d small fixes 2022-12-17 16:11:06 -05:00