Commit Graph

570 Commits

Author SHA1 Message Date
093667799d Merge branch 'develop' into mdi-expand 2022-04-08 20:58:53 -04:00
6849356d63 fix spelling, formatting, and cross-link/indexing issues 2022-04-08 18:35:51 -04:00
fc24cf15ce Merge pull request #3197 from akohlmey/custom-thermo-headers
add support for custom header keywords with thermo output and dump styles
2022-04-08 17:29:35 -04:00
a7ccb16aa8 Merge pull request #3192 from davidfir3/fep_ta
New feature compute fep/ta
2022-04-08 16:27:12 -04:00
02f972292c spelling 2022-04-04 12:16:28 -04:00
a60e1546b2 properly integrate into build system and docs 2022-03-28 16:48:44 -04:00
4a5f5b9980 Merge remote-tracking branch 'github/develop' into new_damp 2022-03-23 04:47:52 -04:00
23461d4ba8 spelling 2022-03-23 04:47:48 -04:00
008c000bfe update LAMMPS theme for HTML pages from readthedocs theme to version 1.0.0 2022-03-18 07:44:47 -04:00
31bc7b2864 Merge pull request #3170 from akohlmey/auto-load-plugins
Automatically load LAMMPS plugins if they are in folders listed in LAMMPS_PLUGIN_PATH environment variable
2022-03-16 13:53:14 -04:00
ba19090631 Merge pull request #3173 from athomps/snap-inner
Inner cutoff switching function for SNAP descriptors and potentials
2022-03-16 12:43:23 -04:00
7e2bb9a065 reformat and spellcheck the documentation 2022-03-12 08:43:17 -05:00
51034c00c0 Completed documentation 2022-03-11 20:40:18 -07:00
62c59a5339 document LAMMPS_PLUGIN_PATH environment variable 2022-03-11 10:34:04 -05:00
5206d81742 make class name consistent with file name and add backward compatibility 2022-03-07 14:09:43 -05:00
9a98817567 reformat doc page and address spelling issues 2022-03-05 11:35:37 -05:00
1dbff92eeb spelling 2022-02-25 16:23:48 -05:00
8b627f92f0 address spelling and achor issues, and integrate into style overview tables 2022-02-16 08:10:29 -05:00
e3222a4bd0 Merge pull request #3126 from Bibobu/EAM_alloy_python_script
Added Python version of Zhou04_create_v2.f in eam_database
2022-02-14 19:48:51 -05:00
37cd4ba2ea spelling 2022-02-14 11:55:09 -05:00
810717bfe5 discuss stdio vs iostreams and fmtlib 2022-02-13 16:01:27 -05:00
1ab5b9d7fd re-sort list of false poisitives alphabetically with "sort" 2022-02-13 16:01:26 -05:00
1c7e1faeff add sections on inheritance, compositing, polymorphism 2022-02-13 16:01:14 -05:00
d85788305d update manual 2022-02-12 10:37:09 -05:00
ecd072a286 address spelling issues 2022-02-11 09:03:59 -05:00
c2ef4425c6 Update doc/utils/check-styles.py 2022-02-10 12:02:23 -05:00
481bcfcd14 spelling 2022-01-29 08:12:28 -05:00
fbecf0051e Merge remote-tracking branch 'upstream/develop' into numdiff-stress 2022-01-28 18:36:27 -07:00
a9481733a0 Finished debugging, testing, documenting 2022-01-28 18:34:30 -07:00
e76c8bbaa3 spelling 2022-01-28 14:52:31 -05:00
fa8e2ccee8 Merge pull request #2958 from jddietz/nm_split_styles
nm split styles
2021-12-10 13:42:31 -05:00
a84c0a43bd address spelling issues 2021-12-06 15:35:32 -05:00
3dff9cf2c1 update false positives 2021-12-02 12:27:54 -05:00
377b5b4ab3 Merge pull request #3020 from akohlmey/collected-small-changes
Collected small changes and fixes
2021-11-17 14:00:13 -05:00
935c17f02e Document multi-configuration build support in CMake 2021-11-04 16:32:21 -04:00
2cd862e4a2 Update lebedeva potential file and docs based on email on mailing list
https://matsci.org/t/lammps-users-webpage-and-parameter-file-for-the-lebedeva-potential/39059
2021-11-04 15:24:41 -04:00
175f967051 change references to git:// protocol for accessing github to https:// 2021-11-02 14:25:57 -04:00
a1fb6902d5 Merge pull request #2992 from lammps/molswap
Add a new fix mol/swap command
2021-10-13 21:33:52 -04:00
c5617dc006 fix spelling and make consistent 2021-10-13 19:25:09 -04:00
1f4c50037b Merge branch 'master' into acks2_release 2021-10-11 16:13:20 -04:00
70cbb72e42 Merge branch 'master' into acks2_release 2021-10-11 09:58:44 -04:00
6a9bb577cf rename "zip" functions to "compress" functions. update related docs 2021-10-07 12:38:11 -04:00
6f2076a9b8 update docs 2021-10-05 22:11:19 -04:00
2dcaa47b0e unfreeze versions of python packages used to build the documentation 2021-10-02 16:55:19 -04:00
37bfe3d0ce integrate platform sub-namespace into source code and documentation
this updates function calls to functions that have been moved from
the utils namepsace or the Info class to platform::
2021-10-02 16:55:11 -04:00
35bef7b1d3 unfreeze versions of python packages used to build the documentation 2021-10-02 16:32:58 -04:00
359aa1d805 Merge branch 'master' into acks2_release 2021-09-30 00:26:25 -04:00
56cd66a6c3 Merge branch 'master' into parse-logical-keyword
# Conflicts:
#	src/H5MD/dump_h5md.cpp
2021-09-29 23:05:59 -04:00
34fe792fad freeze versions of pip packages for processing the manual of the stable version
this way we avoid surprises in case one of the packages get updated
to an incompatible new version. these are know-to-work versions.
2021-09-27 18:31:46 -04:00
6adac6b637 Merge branch 'master' into parse-logical-keyword 2021-09-20 20:41:48 -04:00