Commit Graph

3892 Commits

Author SHA1 Message Date
312a1fa004 Added species to kim_queries in docs and some other edits 2019-06-27 07:58:32 -05:00
2fd924562b Spell correction 2019-06-25 15:15:30 +02:00
6a6d08e18e Better compute_pressure hybrid and doc 2019-06-25 12:01:29 +02:00
8fd1aaba7e Merge pull request #1535 from evoyiatzis/class2
Implementation of inner/middle/outer compute methods for lj/class2/coul/long
2019-06-25 06:00:06 -04:00
f6842e643e Merge pull request #1525 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch
2019-06-24 23:55:50 -04:00
483353a017 Merge remote-tracking branch 'lammps/master' into kim-simulator-models 2019-06-24 15:35:06 -05:00
86d878a7eb Updated language on availability of ADP potentials in OpenKIM 2019-06-24 15:26:41 -05:00
b653536750 Switched pair_style kim doc to "KIM Portable Model" terminology 2019-06-24 14:38:44 -05:00
1047d8f80e Change of terminology to "KIM Portable Model" and streamlining 2019-06-24 14:32:40 -05:00
c8a2f61c16 Merge branch 'kim-simulator-models' of github.com:ellio167/lammps into kim-simulator-models 2019-06-24 13:55:22 -05:00
0ddcc023a5 Improvements and additions to kim_commands doc 2019-06-24 13:54:55 -05:00
7afcfccf48 follow convention to list all commands in a file as header 2019-06-24 13:51:41 -04:00
bfd0c4228d Added text that ADP potentials are available in KIM as well as NIST 2019-06-23 18:29:59 -05:00
cf008c163d Corrected box rescaling 2019-06-23 18:01:35 -05:00
d150feb41a Small change to KIM package build 2019-06-23 17:46:00 -05:00
94e1f87cb8 Moved some content from pair_kim docs to kim_commands 2019-06-23 17:36:36 -05:00
881f9ff043 Updated the pair_kim docs 2019-06-23 17:36:10 -05:00
b5d4cf4bfd Updated KIM package information 2019-06-23 17:23:21 -05:00
e42e1e64a8 Added explanation on Model and SM pages 2019-06-23 14:50:52 -05:00
b2ba0550d7 Some minor typo fixes in kim_commands.txt 2019-06-23 13:19:48 -05:00
f31faafeec modification in the doc file of lj/class2 style 2019-06-23 20:18:39 +02:00
c9cb6e3658 remove obsolete files 2019-06-23 13:12:23 -04:00
7f00cf8c12 Merge branch 'kim-simulator-models' of github.com:ellio167/lammps into kim-simulator-models
# Conflicts:
#	doc/src/kim_commands.txt
2019-06-23 13:11:56 -04:00
a6f6c9bed0 fix up links, spelling issues, and inconsistent names in kim commands docs 2019-06-23 12:41:29 -04:00
d08867ce0a Completed first version of kim_commands documentation 2019-06-23 11:39:06 -05:00
33be7f259b Working on kim_commands documentation 2019-06-22 21:49:29 -05:00
17fa2f787b Added kim_command documentation structure 2019-06-22 15:25:21 -05:00
58f9380c45 Archlinux install documentation
Link to #1495
2019-06-22 19:46:21 +05:30
7a56a4be24 add option to pair_modify to explicitly turn off F dot r 2019-06-21 14:18:18 -04:00
a01421db99 Merge branch 'master' into collected-small-changes
# Conflicts:
#	doc/src/pair_spin_dipole.txt
2019-06-20 14:38:51 -04:00
6760866f44 integrate pair styles spin/dipole/cut and spin/dipole/long properly into docs 2019-06-20 11:49:53 -04:00
17bfed3590 move non-LaTeX images from doc/src/Eqs folder to doc/src/JPG
this also updates links in doc sources referencing them
2019-06-20 11:39:41 -04:00
bc224bc66e Eliminate a doc build warning. pair_spin_dipole.txt was recently edited. Much content was removed and it no longer contained any internal reference links. But it still had a link anchor at the bottom. This was generating a build warning. I've removed the unused link anchor and an unneeded line separator. 2019-06-20 09:15:40 -06:00
c9fc83ef6f Move two non-equation images from Eqs folder to JPG folder 2019-06-20 08:16:20 -06:00
fe5e952319 Fix docs issues 2019-06-19 19:17:20 -04:00
87e6fda820 Merge remote-tracking branch 'upstream/master' 2019-06-19 18:52:47 -04:00
f54ad09668 recreate missing LaTeX files for image-only equations 2019-06-19 17:53:40 -04:00
599ef78161 put dump_modify after the list of all dump variant doc pages 2019-06-19 17:13:06 -04:00
fe1afee84e Merge remote-tracking branch 'upstream/master' 2019-06-19 16:12:36 -04:00
395a9d3739 Fold hma compute into USER-MISC 2019-06-19 16:12:15 -04:00
52a3d825ef Explain more about advantages of HMA, restrictions, point to examples/hma 2019-06-19 13:35:35 -04:00
26347ec80c Add docs for compute momentum 2019-06-19 13:56:00 +01:00
bb11344424 Merge pull request #1522 from akohlmey/next_version
Step version string for next patch release
2019-06-18 22:01:42 -04:00
e754fb80a4 Merge pull request #1518 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch release
2019-06-18 16:21:41 -04:00
d98c105d34 step version string to 18 June 2019 2019-06-18 11:52:09 -04:00
961dcfc261 mention alternate build environment generators for cmake 2019-06-18 11:50:06 -04:00
81cdce9b04 flag and document that USER-TALLY computes are not compatible with dynamic groups 2019-06-18 00:14:48 -04:00
a39a35af20 Merge pull request #1517 from jrgissing/bond/react-clarify-template-check-messages
Bond/react: clarify reaction-template warning messages
2019-06-17 14:14:53 -04:00
5d73b0790f Merge pull request #1510 from evoyiatzis/respa_class_2
Implementation of inner/middle/outer compute methods for lj/class2
2019-06-17 14:13:47 -04:00
93fd33aad9 Merge pull request #1507 from athomps/yarray
Back-porting of Zombie SNAP improvements
2019-06-17 14:13:28 -04:00