Commit Graph

6258 Commits

Author SHA1 Message Date
b9afbf40a0 Merge branch 'develop' into collected-small-changes 2023-08-09 00:43:29 -04:00
b6f7a27b09 Merge pull request #3871 from megmcca/local-composition
Per-atom compute to calculate local composition of atom types
2023-08-05 00:53:57 -04:00
5e9658aff6 fix whitespace and minor documentation integration issues 2023-08-04 21:06:47 -04:00
95bc422424 fix duplicate implicit reference 2023-08-04 16:38:18 -04:00
376b83df52 Merge branch 'develop' of github.com:lammps/lammps into local-composition 2023-08-04 13:23:53 -06:00
ecb28e8e2e Merge branch 'develop' into cmake-3.16 2023-08-04 04:26:30 -04:00
e467461cac Merge pull request #3736 from lammps/always-exceptions
Always throw exceptions for errors
2023-08-03 21:00:19 -04:00
2305c4cb30 Merge branch 'develop' into cmake-3.16 2023-08-03 17:39:15 -04:00
794e3d11df Merge pull request #3670 from stanmoore1/kk_update_4.0
Update Kokkos library in LAMMPS to v4.1.0
2023-08-03 17:36:22 -04:00
6e9a6e6b0b Merge pull request #3856 from akohlmey/remove-mscg-package
Remove MSCG package from LAMMPS distribution
2023-08-03 17:29:56 -04:00
4ed98083e0 Merge branch 'develop' into always-exceptions
# Conflicts:
#	src/library.cpp
2023-08-03 16:50:50 -04:00
e0055ea929 Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0 2023-08-03 13:42:48 -06:00
07b36025e2 small doc fix from @sjplimp 2023-08-02 17:56:02 -04:00
e493519c12 more hotkeys and have Ok/Cancel on preferences dialog handled properly 2023-08-02 11:05:35 -04:00
f76300c4f8 do not build packages automatically but use explicit targets 2023-08-01 20:42:10 -04:00
4f1946f307 update LAMMPS GUI docs 2023-08-01 18:19:18 -04:00
6b50daf5b7 Merge branch 'collected-small-fixes' into lammps-gui
# Conflicts:
#	cmake/CMakeLists.txt
2023-08-01 03:07:56 -04:00
72ea2673dd update LAMMPS manual and README file 2023-07-31 00:07:32 -04:00
1fa4ab22ab Merge branch 'develop' into remove-mscg-package 2023-07-27 10:45:23 -04:00
f533d4ff66 Merge branch 'lammps:develop' into local-composition 2023-07-27 03:13:51 -06:00
732566c8a9 mention that class members should be initialized in the constructor, not the header. 2023-07-21 19:32:47 -04:00
c441a999f1 fix typos 2023-07-20 17:59:40 -04:00
b9aa71cbc5 Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0 2023-07-20 13:03:17 -06:00
e299fa9aab add option to skip building for multiple GPU archs 2023-07-20 14:00:21 -04:00
9b7bd71ab6 remove MSCG package from LAMMPS distribution 2023-07-16 21:04:58 -04:00
77bdcb3e19 small doc style update 2023-07-15 12:36:41 -04:00
78470febbd Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0 2023-07-14 17:59:15 -06:00
e2d7c54409 Merge pull request #3851 from hammondkd/doc-fixes
Documentation: swap "parsed-literal::" for "code-block:: LAMMPS" in Syntax sections
2023-07-12 23:26:17 -04:00
acb0b89833 fix typos 2023-07-12 20:48:36 -04:00
df2cfe28c4 Merge pull request #3850 from jibril-b-coulibaly/BPM
BPM package: allow bonded atoms to be excluded from neighbor lists if BPM cannot break + doc update
2023-07-12 18:38:08 -04:00
fe95dbc82f enforce all special_bonds weights to be 1.0 when overlay/pair is used 2023-07-12 11:37:17 -06:00
3b859094bf there is no mandatory group-ID for both commands 2023-07-12 12:27:15 -04:00
7d88a351f5 Merge branch 'develop' into doc-fixes 2023-07-12 11:41:15 -04:00
6efa8526ba work around pygments issue 2023-07-11 19:39:54 -04:00
6123883324 Replaced parsed-literal:: with code-block:: LAMMPS under "Syntax" 2023-07-11 17:57:22 -05:00
0f89a8b2ca explicit special_bonds commands for 1-2 coul weight equal to zero 2023-07-11 10:42:26 -06:00
cb27cb644f Merge remote-tracking branch 'github/develop' into collected-small-fixes 2023-07-10 13:11:24 -04:00
254afdd938 Merge pull request #3849 from jibril-b-coulibaly/doclink
fix typo for broken links in doc
2023-07-10 13:10:38 -04:00
469ffc7aba Merge pull request #3845 from ndtrung81/dielectric-updates2
Update and bugfix for the DIELECTRIC package
2023-07-10 11:50:23 -04:00
55343d715c update URL 2023-07-09 21:39:51 -04:00
60b45f9766 correct error message 2023-07-09 18:01:19 -06:00
0718114a67 fix typo for broken links in doc 2023-07-09 17:43:39 -06:00
6a8ca34ce8 Merge pull request #3843 from dsbolin/gran_heat
Minor bug fix and enhancements for granular heat transfer
2023-07-06 21:09:23 -04:00
a3b9914f62 make error messages consistent with keyword values yes/no. Allow coul weight for 1-2 bonds to be zero for break no to eliminate bonded atoms from neighbor list when bonds cannot break 2023-07-06 17:48:49 -06:00
3e4b66378a typo 2023-07-06 14:06:31 -04:00
55b7b3d999 whitespace fixes 2023-07-06 14:03:07 -04:00
b66a5cd225 fix another typo 2023-07-06 13:31:00 -04:00
cac8247383 Modified doc page for pair granular to include flux as extra pairwise quantity 2023-07-06 11:19:22 -06:00
6e41ac7ead fix typo 2023-07-06 09:14:00 -07:00
02845483d2 add gravity keyword info to fix rigid doc page 2023-07-06 09:08:15 -07:00