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6600 Commits

Author SHA1 Message Date
Axel Kohlmeyer fc090c22f4
fix typo 2020-06-22 22:24:06 -04:00
Axel Kohlmeyer 132afb32f4
add note about dependency on SNAP in the MLIAP overview page 2020-06-22 19:46:44 -04:00
Axel Kohlmeyer 6e714fec42
fix underline 2020-06-22 13:40:30 -04:00
Axel Kohlmeyer 1f3c3bfb3c
snap is listed twice 2020-06-22 13:30:54 -04:00
Axel Kohlmeyer 8eb6c2e037
Merge branch 'mliap' of github.com:athomps/lammps into mliap 2020-06-22 11:40:22 -04:00
Aidan Thompson 743a14aea0 Fixed incomplete documentation entries for mliap 2020-06-22 09:35:16 -06:00
Axel Kohlmeyer 233b56105a
Merge branch 'master' into mliap 2020-06-22 11:24:49 -04:00
Aidan Thompson bbd9af0d6f Fixed a few minor problems 2020-06-22 09:11:38 -06:00
Aidan Thompson 10ace11c0b Fixed spelling and false positives 2020-06-21 21:10:03 -06:00
Aidan Thompson 9238c2a624 Finished first version of MLIAP package 2020-06-21 19:57:08 -06:00
Axel Kohlmeyer f5a31fefdc
Merge pull request #2171 from athomps/orientorder-components-parity 
Switched the sign of spherical harmonics for m odd
 2020-06-19 18:46:15 -04:00
Axel Kohlmeyer 5148834d23
Merge pull request #2162 from akohlmey/collected-small-changes 
Collected small changes
 2020-06-19 17:07:07 -04:00
Stan Moore b218fc44da Merge branch 'master' of https://github.com/lammps/lammps into orientorder-components-parity 2020-06-19 14:32:00 -06:00
Aidan Thompson c7874fca86 Switched the sign of spherical harmonics for m odd 2020-06-19 12:18:11 -06:00
Axel Kohlmeyer b83fab92bf
document coding style and sanitizing options 2020-06-18 13:35:07 -04:00
Axel Kohlmeyer 77f6fecc86
Merge pull request #1971 from charlessievers/chem_snap 
Chemical specificity for SNAP
 2020-06-18 10:11:15 -04:00
Axel Kohlmeyer 27912754c4
Merge branch 'master' into collected-small-changes 2020-06-17 21:18:29 -04:00
Axel Kohlmeyer 8a93c84e74
make formatting consistent with lj/cut 2020-06-17 15:03:36 -04:00
Richard Berger 9d74984144
Fix whitespace 2020-06-16 07:20:09 -04:00
Axel Kohlmeyer ae435536f3
use index style variables instead of equal style variable to allow overriding them 2020-06-16 05:13:16 -04:00
Axel Kohlmeyer 5e238b2cf4
Merge branch 'master' into chem_snap 2020-06-16 05:06:11 -04:00
Sievers ba26b2f71f Update false positives and fix typos 2020-06-15 17:24:47 -07:00
Axel Kohlmeyer 7a00ec90e5
Merge pull request #2134 from akohlmey/next_lammps_version 
Update version strings for next patch release
 2020-06-15 18:20:17 -04:00
Axel Kohlmeyer 30100d33c6
get rid of tabs and trailing whitespace 2020-06-15 17:37:45 -04:00
Sievers ac87f1763c Merge remote-tracking branch 'refs/remotes/origin/chem_snap' into chem_snap 2020-06-15 12:22:11 -07:00
Axel Kohlmeyer c987dfb2c9
Merge pull request #2156 from akohlmey/collected-small-changes 
Collected changes for the next patch release
 2020-06-15 14:40:27 -04:00
Axel Kohlmeyer e083416dd8
Merge pull request #2159 from akohlmey/potential-unit-tag 
Add a units consistency check by adding a UNITS: tag to potential files.
 2020-06-15 13:55:20 -04:00
Axel Kohlmeyer 9aee8d41bd
Merge branch 'master' into collected-small-changes 2020-06-15 12:12:45 -04:00
Axel Kohlmeyer b3a99f3165
add and document new "download" preset 2020-06-14 19:50:14 -04:00
Aidan Thompson 5d3f67dff4 Tweaked formulae for K 2020-06-14 13:25:11 -06:00
Axel Kohlmeyer 8736565977
document the use and generation of "DATE:" and "UNITS:" tags 2020-06-14 14:41:04 -04:00
Axel Kohlmeyer 5abfcde3f7
make subheaders and typesetting more consistent 2020-06-14 12:41:19 -04:00
Axel Kohlmeyer b587500b19
update false positives 2020-06-14 11:56:24 -04:00
Axel Kohlmeyer 083fe85b68
import updates to the manual from the progguide branch 2020-06-14 11:25:02 -04:00
Aidan Thompson 9dec9314a2 Polished the doc files a bit 2020-06-13 19:20:30 -06:00
Aidan Thompson 30aa4bf454 Added chemsnap keywords and upgraded equations to mathjax 2020-06-13 17:55:45 -06:00
Axel Kohlmeyer dfc250339e
move release date (again) 2020-06-12 23:49:47 -04:00
Axel Kohlmeyer 497e30af82
fully integrate and update USER-MESONT docs. Add notes about C++ pair style and download of potential files 2020-06-12 09:02:56 -04:00
Axel Kohlmeyer cf359dede2
Merge pull request #2139 from akohlmey/fetch-potentials 
Add feature to transparently download external potential files when packages are enabled
 2020-06-12 06:28:42 -04:00
Axel Kohlmeyer d61d8899ff
Merge branch 'fetch-potentials' into feature-cnt 2020-06-12 05:54:45 -04:00
Axel Kohlmeyer cf5c748fb4
Merge branch 'master' into feature-cnt 2020-06-12 05:53:17 -04:00
Axel Kohlmeyer 554905ba36
move version date one more time 2020-06-11 23:11:44 -04:00
Axel Kohlmeyer 6b783d31ad
fix spelling 2020-06-11 21:28:32 -04:00
Axel Kohlmeyer 219a3e4ce2
fix format (again) 2020-06-11 21:27:27 -04:00
Axel Kohlmeyer bb144f0d1b
Merge branch 'reset-ids-sort' into move-ubuf-to-lmptype 
# Conflicts:
#	src/reset_ids.h
 2020-06-11 20:12:37 -04:00
Axel Kohlmeyer 965ec37e80
whitespace/format fixes 2020-06-11 20:11:38 -04:00
Axel Kohlmeyer 006f7956c1
Merge remote-tracking branch 'github/reset-ids-sort' into move-ubuf-to-lmptype 2020-06-11 18:11:51 -04:00
Axel Kohlmeyer fc9bbd4d06
Merge pull request #2121 from rbberger/gran-wall-store-contacts-fix 
Document and fix store_contacts in fix gran/wall and gran/wall/region
 2020-06-11 18:04:23 -04:00
Axel Kohlmeyer b9303378ac
move pair style mesocnt from USER-MISC to (upcoming) USER-MESONT package 
the remaining documentation and README files will be updated once USER-MESONT is integrated
 2020-06-11 17:41:19 -04:00
Richard Berger 3a5cdd384f
vector -> array 2020-06-11 14:51:36 -04:00