Commit Graph

502 Commits

Author SHA1 Message Date
3cfae26b84 update docs and make part of SMTBQ package 2022-04-27 15:10:46 -04:00
8f019f4800 doc fixes: spelling and links 2022-04-23 07:34:44 -04:00
5fd2311951 Pulled develop. Solved false_positives.txt bond.cpp and bond.h files conflict. 2022-04-22 00:24:50 +02:00
8c153adceb spelling 2022-04-12 18:36:16 -04:00
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
8e9b508c88 Merge branch 'develop' of github.com:lammps/lammps into Elastic_stress 2022-03-25 16:01:35 +01:00
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
6f2c09c187 Merge branch 'develop' of github.com:lammps/lammps into Elastic_stress 2022-03-21 10:46:53 +01:00
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
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
7d79a7822b Merge branch 'develop' into Elastic_stress 2022-02-20 05:28:42 -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
ba89ad546a Tried to make the fusion with Aidan Thomps modification of compute_born + several headers issues (essentially adding override flag to virtual methods) 2022-02-07 00:12:27 +01:00
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
78ed631877 spelling 2022-01-22 16:30:03 -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
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
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
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
359aa1d805 Merge branch 'master' into acks2_release 2021-09-30 00:26:25 -04:00