Commit Graph

522 Commits

Author SHA1 Message Date
b0f4ef8a39 update docs for noremap option to read_restart 2022-06-21 20:19:13 -04:00
b6e0d76123 fix some docs formatting issues 2022-06-08 12:47:30 -04:00
3af9546b94 provide README files with pointers to the developer info for plugins
also add a paragraph with information about the ML-PACE plugin to the
plugin developer info docs.
2022-06-04 11:49:33 -04:00
2da61d69a1 Merge pull request #3289 from akohlmey/collected-small-changes
A few last minutes updates and fixes for the next patch release
2022-06-02 20:16:39 -04:00
260a5f4d52 update false positives 2022-06-02 14:39:08 -04:00
8e9071b01f move and update threebody/table examples 2022-06-01 14:22:53 -04:00
ee6e18f08e Merge branch 'develop' into schererc/develop 2022-06-01 12:07:06 -04:00
d9b560e70b properly integrate into manual 2022-05-26 12:08:21 -04:00
07e93a643a spelling 2022-05-19 23:36:54 -04:00
898eda794c minor updates 2022-05-19 00:06:11 -04:00
60b9fd2db8 minor tweaks simplify algorithm 2022-05-07 17:08:22 -04:00
8ed401ce12 spelling 2022-05-05 21:34:31 -04:00
fef6c37ea7 Merge pull request #3240 from akohlmey/ave-yaml-file-colname
Add support for custom column names and YAML format output to fix ave/time
2022-05-02 11:45:50 -04:00
80c716b81f update false positives 2022-04-29 15:11:11 -04:00
47f62838db Merge branch 'develop' into electrode 2022-04-29 14:37:48 -04:00
6fb3cef39f Merge pull request #3031 from Iximiel/develop
Second Moment Aproximation to the Tight Binding addes as pair style
2022-04-28 22:32:38 -04:00
7d9cdc7ec4 update documentation. more examples. document fix_modify options 2022-04-28 18:34:49 -04:00
3cfae26b84 update docs and make part of SMTBQ package 2022-04-27 15:10:46 -04:00
6439777406 complete documentation of the MathSpecial namespace 2022-04-27 11:59:25 -04:00
7aaa71d22e Merge remote-tracking branch 'lammps/develop' into electrode 2022-04-26 10:29:39 +02:00
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
23598fa658 spelling 2022-04-09 07:44:15 -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