Commit Graph

7324 Commits

Author SHA1 Message Date
d07cf22ac5 use parsed-literal sections to reduce spellchecking variable names 2020-12-22 10:25:40 -05:00
75eadabaf0 change ordering of sub sections 2020-12-22 08:02:28 -07:00
a1c5ed93ab new Developer_notes doc page 2020-12-21 17:13:32 -07:00
a13f70790a spelling 2020-12-18 23:02:28 -05:00
2022dc0aa9 whitespace fixes 2020-12-18 22:45:26 -05:00
9f206b471e Merge branch 'master' into collected-small-changes 2020-12-18 22:41:27 -05:00
09028b27d4 Merge pull request #2423 from jtclemm/multi_ishan
Extend multi style neighbor lists to finite-sized particles
2020-12-18 22:39:01 -05:00
71e340a792 Adding multi+granular note in neighbor documentation 2020-12-18 17:56:51 -07:00
6035c53bb7 Merge branch 'master' into collected-small-changes 2020-12-17 17:41:46 -05:00
79833f9b83 Merge pull request #2521 from rbberger/python_package
Turn LAMMPS Python module into Python package
2020-12-17 17:06:03 -05:00
09023edc98 small python installation docs update 2020-12-17 16:41:18 -05:00
f9f9c37bd2 Update docs 2020-12-17 11:57:40 -05:00
5ddeb45c0a whitespace 2020-12-17 09:25:54 -05:00
b36363e0fb Merge pull request #2505 from akohlmey/collected-small-changes
Collected small changes
2020-12-16 23:24:07 -05:00
ed0f045465 Merge pull request #2515 from PabloPiaggi/patch-1
Update temp/csvr manual
2020-12-16 23:18:54 -05:00
f7e0bd45f3 Merge pull request #2520 from akohlmey/add-pgi-preset
Add a CMake preset and some workarounds for using PGI (Nvidia) compilers with LAMMPS
2020-12-16 21:30:04 -05:00
7a9d6611d9 add false positive 2020-12-15 20:36:27 -05:00
3103fe85f6 Update Python_module.rst 2020-12-15 19:16:29 -05:00
94cbee7710 Document the cmake KIM_EXTRA_UNITTESTS option
Document KIM_EXTRA_UNITTESTS option and it's pre-requisites.
2020-12-15 15:50:15 -06:00
f7dc7e3f3f add preset for use with PGI compilers (tested with version 20.11) 2020-12-15 14:31:40 -05:00
40d260dcc6 Remove word kinetic 2020-12-14 18:45:46 -05:00
65d1594474 Fix typo and adjust grammar 2020-12-14 08:39:27 -05:00
524302e6e6 whitespace 2020-12-13 00:07:48 -05:00
623f674ee5 Merge branch 'master' into collected-small-changes 2020-12-13 00:07:24 -05:00
dbdb108512 update temp/csvr manual 2020-12-10 15:18:48 -05:00
d350f46a2c Fixed error in Wurtzite script and added more explanation 2020-12-07 09:22:34 -07:00
71827f0099 update pair meam/spline docs to reflect limitations of the implementation
this closes #2500
2020-12-01 19:06:54 -05:00
63d8182ff3 fix spelling 2020-12-01 19:06:09 -05:00
6ac481409a remove temporary flag for using the new pip resolver which is now the default 2020-12-01 19:04:43 -05:00
5ea9d97024 Merge pull request #2498 from rbberger/next_lammps_version
Step version string for next LAMMPS release
2020-11-30 17:58:01 -05:00
b5d43f1570 Merge branch 'master' into small_changes 2020-11-30 15:39:25 -05:00
40dd4e57fb Merge pull request #2467 from jrgissing/bond/react-delete_atoms_bugfix
Bond/react: molecule keyword + bugfixes
2020-11-30 15:35:14 -05:00
ce3c92d52e Avoid duplicate doc target 2020-11-30 14:55:35 -05:00
0f27ba34b0 whitespace 2020-11-30 13:33:09 -05:00
5ffba2d2fa step version string for next LAMMPS release 2020-11-30 13:27:35 -05:00
e0c87fc0b6 Merge pull request #2419 from akohlmey/reset-invalid-image-flags
Reset invalid image flags on read_data
2020-11-30 12:53:50 -05:00
91f21fcd9e Merge pull request #2487 from akohlmey/collected-small-changes
Collected small changes and fixes
2020-11-30 11:36:23 -05:00
7555c82c09 Merge pull request #2492 from lammps/balance-neigh-skin
separate cut planes by neigh skin for balance shift
2020-11-29 17:05:27 -05:00
bddbc516b5 Merge branch 'master' into collected-small-changes 2020-11-29 12:26:30 -05:00
76f43f4c57 Merge pull request #2440 from evoyiatzis/bond_gaussian
Bond & angle styles gaussian
2020-11-29 10:13:51 -05:00
62f5f3a3b8 fix whitespace 2020-11-27 15:17:39 -05:00
5af15984e5 fix typos and remove false false positive 2020-11-27 15:16:32 -05:00
2bb05d6f89 Minor edits in Developer_unittest.rst 2020-11-25 17:08:39 -05:00
d5d151f34d complete first draft of unit test documentation 2020-11-25 16:51:44 -05:00
2868f37304 update keyword summary 2020-11-25 16:51:43 -05:00
f0e4f9932f whitespace fixes 2020-11-25 16:51:43 -05:00
7f6638b681 more unittest docs 2020-11-25 16:51:43 -05:00
583d3823d8 address spelling issues 2020-11-25 16:51:42 -05:00
a8275e0e51 fix issues with compute stress/atom docs 2020-11-25 16:51:42 -05:00
2b6c995e12 more unittest docs 2020-11-25 16:51:42 -05:00