Commit Graph

11437 Commits

Author SHA1 Message Date
b6d11b5902 document GSL dependency and provide build instructions for RHEO package 2024-07-03 19:07:19 -04:00
17d736c0f9 Merge branch 'develop' into electrode 2024-07-03 15:17:43 -04:00
66552d80da Merge branch 'develop' into rheo 2024-07-03 03:42:44 -04:00
3385198b51 fix typo 2024-07-03 00:51:32 -04:00
993a7cce54 Merge pull request #4215 from lammps/atom-map-bug
Ensure atom map is reset by fix pour and fix deposit
2024-07-03 00:38:33 -04:00
7739c7ad90 Add files via upload 2024-07-02 14:50:12 -07:00
edebab9a5c clarify possible map styles on atom_modify doc page 2024-07-01 14:57:26 -06:00
b8360631e1 Fix typos and add TF definitions to fix_electrode.rst 2024-07-01 10:35:54 +02:00
6ad0145709 new special variable function is_timeout() 2024-06-29 04:02:33 -04:00
d5c90eebfd Flipping doc reference name 2024-06-28 17:27:13 -06:00
1326592f23 Proofing RHEO package 2024-06-28 17:07:23 -06:00
8397738978 add explanation about integrating new styles into packages 2024-06-28 18:32:58 -04:00
42724fda74 note the ability to build ML-PACE and PLUMED as plugins 2024-06-27 20:56:20 -04:00
3c0eaf6870 Moving stress calculation to rheo/prop/atom 2024-06-27 16:57:53 -06:00
e72a786a44 fix typo 2024-06-26 19:58:09 -04:00
9d94345f09 Merge branch 'develop' into next-release 2024-06-26 19:50:27 -04:00
14086cc9ad add warning about memory consumption 2024-06-26 10:50:38 -04:00
25985abfc0 add version tag 2024-06-26 09:50:52 -04:00
b1d1213dfd reformate, make small corrections, align with other doc files and use sphinx-design to make html more compact 2024-06-26 07:30:50 -04:00
252f48b2c1 Mention bonded force field primer from typelabel paper in bioFF howto 2024-06-26 07:27:11 -04:00
44b66cb56b various documentation fixups, dedup references, wrap paragraphs, adjust underlines, add missing index 2024-06-26 07:26:03 -04:00
8173142950 Merge branch 'develop' into collected-small-changes 2024-06-26 06:16:21 -04:00
4bb71195aa Allow NULL for eta in fix electrode 2024-06-26 12:08:45 +02:00
acc28e01c3 Merge pull request #4050 from akohlmey/bioff-doc-updates
Bio force field documentation updates
2024-06-26 04:27:33 -04:00
e3fb1f24bd Merge branch 'develop' into collected-small-changes 2024-06-25 19:41:45 -04:00
0b0ec155ca whitespace 2024-06-25 19:40:07 -04:00
3323e45372 Merge pull request #4168 from cesmix-mit/kokkospod
New features for the ML-POD package
2024-06-25 19:35:08 -04:00
b62a05a147 fix up garbled references to other doc pages 2024-06-25 19:06:23 -04:00
8e4ffdc84e update docs for fully integrating utils::bounds_typlabel() function 2024-06-25 18:23:07 -04:00
3453f13c2d correct capitalization 2024-06-25 13:33:29 -04:00
125da5723b whitespace 2024-06-25 13:31:33 -04:00
e6e89ec54a Merge branch 'develop' into collected-small-changes 2024-06-25 13:31:15 -04:00
b84c09d30e update version tags for next feature release 2024-06-25 13:30:38 -04:00
6ef8472481 Merge commit 'refs/pull/4168/head' of github.com:lammps/lammps into kokkospod 2024-06-24 23:52:39 -04:00
ebbb2673f1 Merge branch 'kokkospod' of https://github.com/cesmix-mit/lammps into kokkospod 2024-06-24 22:34:52 -04:00
e195f1759f Remove unused parameters, change command name, and update documentation and examples.. 2024-06-24 22:32:35 -04:00
a2fcec6aaa fix typos, spelling, incorrect markup, and correct and add more details for speedup note 2024-06-24 20:01:41 -04:00
667c673855 Update docs 2024-06-24 17:55:28 -06:00
da095a1d79 minor edits to new pair dpd/coul/slater/long doc page 2024-06-24 16:36:38 -06:00
b0718a0983 Merge conflicts 2024-06-24 14:16:40 -06:00
b219bb8de8 Merge conflicts 2024-06-24 14:09:33 -06:00
9a41f6aedf spelling updates 2024-06-23 04:21:01 -04:00
01a85639f9 Merge branch 'develop' into kokkospod 2024-06-23 03:56:39 -04:00
e6042c7db2 Merge branch 'develop' into spica-kk 2024-06-22 20:27:00 -04:00
1349d7632e flag KOKKOS support for added styles in commands lists 2024-06-22 20:26:45 -04:00
b8cbd1bfc3 use proper technical term 2024-06-22 14:26:24 -04:00
13f0e37a57 Merge pull request #4201 from lammps/amoeba-doc-page
Fix errors in fix amoeba/pitorsion doc page
2024-06-21 12:17:26 -04:00
d0da16070b one more change 2024-06-21 08:00:50 -06:00
6b42545044 fix errors in fix amoeba/pitorsion doc page 2024-06-21 07:51:49 -06:00
6d1fb9eb62 fix typo 2024-06-20 20:31:24 -04:00