Commit Graph

19876 Commits

Author SHA1 Message Date
d242051c8e Merge pull request #1898 from akohlmey/next_lammps_version
Update version info for next release candidate
patch_27Feb2020
2020-02-27 14:38:08 -05:00
6e7e365981 Merge pull request #1888 from lammps/release-preparation
Documentation and Build script and Info updates for stable release
2020-02-27 13:23:08 -05:00
3c277409c2 switch parsed-literal to code-block in Howto files where applicable 2020-02-27 12:45:14 -05:00
669a49e994 Merge pull request #1908 from stanmoore1/kk_finalize
Finalize Kokkos on error exit
2020-02-27 12:05:17 -05:00
06ede499c1 use only the LAMMPS logo in the navigation bar 2020-02-27 11:36:00 -05:00
eb8531062c Merge branch 'doc-updates' of github.com:rbberger/lammps into release-preparation 2020-02-27 11:26:15 -05:00
25ec8d36a8 Final batch of index cleanup and code-blocks 2020-02-27 11:08:04 -05:00
704207f3c8 Finalize Kokkos on error exit 2020-02-27 08:51:02 -07:00
2d2cb46dc0 move release date 2020-02-27 08:58:09 +01:00
1bb38ed09b Merge commit 'refs/pull/1903/head' of github.com:lammps/lammps into release-preparation 2020-02-27 01:15:17 -05:00
9ef5949798 Second batch of index cleanup and code-blocks 2020-02-26 16:31:05 -05:00
3563d2f10d remove references to html-offline and only produce the offline viewable html manual 2020-02-26 16:01:03 -05:00
7bd3215226 Merge pull request #1894 from stanmoore1/kk_snap_chunk
Make Kokkos pair SNAP chunksize variable user-settable
2020-02-26 15:27:37 -05:00
ba560bc99e Merge pull request #1905 from akohlmey/compute-pair-neigh-request
Correct compute entropy/atom to work with "avg" flag enabled
2020-02-26 14:23:57 -05:00
275626a1de re-enable perpertual neighborlist for compute entropy/atom if avg flag is used only 2020-02-26 13:57:11 -05:00
49b07a2360 Keep original chunksize value set by user in case atom count changes 2020-02-26 09:42:59 -07:00
a828facbd8 Merge pull request #1900 from akohlmey/couple-lammps-plugin
Example for loading LAMMPS as a plugin from a shared library
2020-02-26 10:40:24 -05:00
37e6fd1bae Merge pull request #1901 from stanmoore1/compea_neigh
Change compute entropy/atom to use occasional neigh list
2020-02-26 10:39:37 -05:00
dcb83d41af Merge pull request #1899 from agiliopadua/thole
Added safeguard to thole pair styles
2020-02-26 07:44:04 -05:00
e766518062 Merge pull request #1896 from pmla/user-ptm-group-fix
Apply compute group correctly for compute ptm/atom
2020-02-26 07:28:01 -05:00
f81b963a8a more strict argument checking and initializing output data to zero 2020-02-26 13:12:39 +01:00
c92378eaca add explanation of use of group2 and document effect of compute group 2020-02-26 13:12:14 +01:00
526c9a548f need to set single_enable to 0 after single() was removed 2020-02-26 12:58:10 +01:00
91c31da576 remove trailing whitespace 2020-02-26 12:52:21 +01:00
8e1928aa65 First batch of index cleanup and code-blocks 2020-02-25 14:46:22 -05:00
e87b3a21c2 complete documentation for LAMMPS plugin coupling example 2020-02-25 14:10:55 -05:00
e083f38c59 Merge pull request #1892 from sef43/master
temper timeout synchronization fix
2020-02-25 13:26:30 -05:00
958d5ca05b Merge pull request #1897 from akohlmey/user-sdpd-atom-style-check
Add check for required atom properties in USER-SDPD
2020-02-25 13:26:00 -05:00
4180b4a7d6 add example to COUPLE folder demonstrating loading LAMMPS as a plugin. 2020-02-25 19:07:49 +01:00
eb51511ddf Change compute entropy/atom to use occasional neigh list 2020-02-25 10:48:00 -07:00
1fc4dc151f typo 2020-02-25 18:11:31 +01:00
7acba4584d added group2ID 2020-02-25 18:05:36 +01:00
1a2a9f2209 small correction/simplification of the linking to LAMMPS library examples 2020-02-25 17:36:37 +01:00
96d04b8a6c Update LAMMPS lexer for docs 2020-02-25 11:30:20 -05:00
00137765a8 Delete fix_propel_self.h 2020-02-25 17:17:13 +01:00
cdfb1d5026 Delete fix_propel_self.cpp 2020-02-25 17:16:59 +01:00
6956dc1a33 Added safeguard to thole pair styles 2020-02-25 16:50:49 +01:00
26f11f19a7 update LAMMPS version string 2020-02-25 15:04:56 +01:00
3168c1116f fixed group selection 2020-02-25 14:16:21 +01:00
bf62646977 add check for required atom properties to USER-SDPD 2020-02-25 14:08:55 +01:00
8d427b54ec small tweaks 2020-02-25 00:42:57 -05:00
11cda92ebb add some false positives 2020-02-24 17:19:29 -05:00
4ed1b4c3c7 Moved the chunking keyword to pair_snap.rst 2020-02-24 15:09:51 -07:00
003ef9d98a add missing table 2020-02-24 17:03:06 -05:00
bf4ad9ddd7 remove unused equation file 2020-02-24 16:45:42 -05:00
351bca4ccb convert pair style bop to class2 2020-02-24 16:43:40 -05:00
3aa6f39425 convert pair styles colloid to dipole 2020-02-24 16:19:24 -05:00
02e287bf51 convert pair styles dpd to exp6 2020-02-24 15:41:16 -05:00
7ee39416b4 Small doc tweak 2020-02-24 13:08:31 -07:00
406ead64b5 Update docs 2020-02-24 13:04:34 -07:00