Commit Graph

23476 Commits

Author SHA1 Message Date
de4bf77757 two typos on pair peri doc page 2020-08-27 13:32:27 -06:00
32aede7769 minor doc clarification 2020-08-27 14:53:09 -04:00
ab90493e5b bond/react: RMSD, remove debugging statements 2020-08-27 14:45:42 -04:00
0d8baff7a9 Rename LAMMPS_DBLE2D to LAMMPS_DOUBLE2D 2020-08-27 14:03:17 -04:00
2f629db3d4 Refactor Zstd dump styles 2020-08-27 13:43:36 -04:00
5c0edeb679 namespace clarify 2020-08-27 12:43:28 -04:00
977a89e537 add separators 2020-08-27 12:33:03 -04:00
794e74e064 return of the lost enum 2020-08-27 12:22:48 -04:00
91554d6287 move RMSD files to new reaction package 2020-08-27 12:13:07 -04:00
ce2b128cf9 Merge branch 'lammps-master' into bond/react-RMSD_constraint 2020-08-27 12:04:09 -04:00
583a09c808 Merge branch 'master' of https://github.com/lammps/lammps into lammps-master 2020-08-27 12:02:08 -04:00
bc49e854ba bond/react RMSD constraint: manual rebase 2020-08-27 11:53:19 -04:00
e4e15157f8 Fixed bugs in the GPU kernels of pair styles beck/gpu and gauss/gpu involving factor_lj 2020-08-26 23:41:00 -05:00
f314b7e54f update format from enumerate to itemize and start next subsection 2020-08-26 23:05:59 -04:00
6a68743e54 transfer a chunk of text from Developer.tex to the manual. 2020-08-26 22:46:55 -04:00
ced78a72eb Add dump custom/zstd and tests 2020-08-26 19:59:28 -04:00
e9fd8b3ec6 Migrate changes to dump custom/gz and add tests 2020-08-26 19:44:55 -04:00
096cef40a8 remove redundant use of \brief 2020-08-26 19:44:23 -04:00
55829752c9 Merge branch 'master' into library-refactor 2020-08-26 19:08:09 -04:00
2f1086dfe4 Merge branch 'python-refactor' into library-refactor 2020-08-26 19:07:44 -04:00
85764b3774 replace a few more c++-style comments with old-fashion c-style comments 2020-08-26 19:07:29 -04:00
1ad82d7cdb add separator comment lines 2020-08-26 19:07:08 -04:00
78a1b92503 Add dump atom zstd tests 2020-08-26 16:35:35 -04:00
007a43a5b2 Add more atom/gz tests 2020-08-26 16:20:02 -04:00
32aa35009b Start tests for compressed dump styles 2020-08-26 16:04:19 -04:00
046fd3d14b Verify valid compression level ranges 2020-08-26 16:03:18 -04:00
d00807ee9a Merge pull request #2311 from stanmoore1/kk_update_3.2
Update Kokkos library in LAMMPS to v3.2
2020-08-26 15:35:25 -04:00
aeb3e20385 Merge pull request #2307 from Vsevak/zbl_reduce_declaration
Fix NaN in GPU-accelerated Tersoff styles with OpenCL backend
2020-08-26 13:56:49 -04:00
629ead6348 Merge pull request #2309 from lammps/doxygen-integration
Add doxygen and graphviz processing into the documentation build
2020-08-26 13:05:00 -04:00
50b8b1bf60 Fix Kokkos HIP compile error 2020-08-26 11:45:24 -05:00
94db627ba5 fix formatting issue 2020-08-26 12:09:43 -04:00
b4403de026 add false positive 2020-08-26 12:09:35 -04:00
d40b658644 cmake: update kokkos version/checksum 2020-08-26 10:05:14 -06:00
8137ada848 Merge branch 'collected-small-changes' into doxygen-integration 2020-08-26 11:51:45 -04:00
bdc952ac88 Merge branch 'master' into collected-small-changes 2020-08-26 11:51:05 -04:00
f89a0f9fe3 must not try to delete computes if they have not been created and their ids not yet set 2020-08-26 11:50:20 -04:00
c8af729701 Merge branch 'master' into collected-small-changes 2020-08-26 11:49:29 -04:00
4ad68c98a0 Merge pull request #2196 from jibril-b-coulibaly/mindlin_rescale
Implement force history in Mindlin granular pair styles
2020-08-26 11:42:06 -04:00
e2fd95d8ed Merge pull request #2240 from jrgissing/bond/react-reset_mol_ids
support molecule ID resets in fix bond/react
2020-08-26 10:56:21 -04:00
ed63edc9da lammps_has_error() and lammps_get_last_error_message() are always available but dummies without exceptions enabled 2020-08-26 09:10:59 -04:00
48d2a48a1f import updated python module from progguide branch 2020-08-26 09:01:59 -04:00
7ab6def2ca update list of Kokkos GPU archs in manual as well 2020-08-26 03:49:59 -04:00
abbbb0ab06 remove trailing whitespace 2020-08-26 03:42:50 -04:00
aa6dec84ed update list of Kokkos supported architectures 2020-08-26 03:42:42 -04:00
e0439ac94f Add compression_level parameter to dump atom gz 2020-08-26 00:14:32 -04:00
5cb8e73655 Add checksum and compression_level as dump atom/zstd options 2020-08-25 23:59:17 -04:00
0d8454ac25 First version of Zstd dump atom 2020-08-25 23:27:42 -04:00
b8f59fd37c Update from master 2020-08-25 20:29:03 -06:00
4d90c2b74b Update Kokkos library in LAMMPS to v3.2 2020-08-25 20:21:48 -06:00
1c10aa6a4d GIFs are only supported in HTML 2020-08-25 17:15:34 -04:00