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11779 Commits

Author SHA1 Message Date
Axel Kohlmeyer 8e1cf6643c apply bugfix to fix wall/gran by eric_lyster@agilent.com on lammps-users 2017-01-11 20:59:40 -05:00
Axel Kohlmeyer 6950a99162 Revert "remove obsolete warning about fix rigid image flag restrictions" 
This reverts commit 51e52b477a.
 2017-01-11 19:49:58 -05:00
Axel Kohlmeyer 34cb4027df make formatting comment consistent 2017-01-11 07:46:07 -05:00
Axel Kohlmeyer 1d0e600ab7 formatting improvements and small corrections for timer settings and output discussions 2017-01-10 23:47:14 -05:00
Axel Kohlmeyer d014e00e53 ignore some newly added styles from packages. 2017-01-09 17:51:38 -05:00
Axel Kohlmeyer 0db2a07993 another workaround for duplicate labels (which sphinx does not like) 2017-01-09 17:51:19 -05:00
Axel Kohlmeyer 33412c76ed correct some formatting issues with USER-NC-DUMP 2017-01-09 17:50:49 -05:00
Axel Kohlmeyer e5ac49d1de Merge branch 'master' into collected-small-bugfixes 2017-01-09 17:13:46 -05:00
Steve Plimpton c31f1e9f22 add fix mscg command, example, lib 2017-01-09 13:36:40 -07:00
Axel Kohlmeyer 09af780aa8 remove misleading comments 2017-01-06 21:31:39 -05:00
Axel Kohlmeyer 51e52b477a remove obsolete warning about fix rigid image flag restrictions 2017-01-06 21:30:33 -05:00
Axel Kohlmeyer 20a4e365b7 reduce warning when processing manual with sphinx 2017-01-06 21:30:13 -05:00
Steve Plimpton 51fa33a407 patch 6Jan17 2017-01-06 11:14:48 -07:00
Steve Plimpton 142770cb2a enable pppm/tip4p to work with triclinic 2017-01-06 10:38:32 -07:00
sjplimp 63f202501b Merge pull request #324 from ibaned/pair-table-kokkos-inherit 
get PairTableKokkos to inherit from PairTable (also fix GPU)
 2017-01-06 10:10:59 -07:00
sjplimp 83da5d3b5d Merge pull request #323 from akohlmey/pppm-cg-triclinic 
synchronize pppm/cg with changes in pppm and remove block on triclinic
 2017-01-06 10:10:09 -07:00
sjplimp ebbf60b112 Merge pull request #319 from andeplane/domain_bug 
Fixed bug in lamda_box_corners function
 2017-01-06 10:03:32 -07:00
sjplimp 12c4fa25e8 Merge pull request #318 from andeplane/initialize_pointers 
Initializing pointers in neighbor.cpp
 2017-01-06 10:03:05 -07:00
sjplimp 3ac58452de Merge pull request #310 from EfremBraun/master 
Fix nvk implemented
 2017-01-06 10:02:22 -07:00
sjplimp 9b348d567b Merge pull request #315 from Pakketeretet2/github-tutorial-update 
GitHub tutorial update
 2017-01-06 10:01:57 -07:00
sjplimp 467377094a Merge pull request #314 from stanmoore1/fix-momentum-kokkos 
Fix momentum kokkos
 2017-01-06 10:01:17 -07:00
sjplimp 5656e90b78 Merge pull request #313 from stanmoore1/kokkos_bugfixes 
Kokkos bugfixes
 2017-01-06 10:00:33 -07:00
sjplimp 41a6a3076e Merge pull request #309 from giacomofiorin/colvars-2016-12-22 
Update Colvars library to version 2016-12-22
 2017-01-06 09:58:20 -07:00
sjplimp d4e8d47387 Merge pull request #306 from timattox/USER-DPD_updates 
USER-DPD updates
 2017-01-06 09:58:01 -07:00
Steve Plimpton f6a819580c pair TIP4P bug fix for cutoffs >> box size 2017-01-06 09:57:27 -07:00
Axel Kohlmeyer 6af56e686d polish the introduction, some more clarifications, corrections and formatting improvements 2017-01-06 08:31:02 -05:00
Stefan Paquay eb1c6a225c typo fixed 2017-01-06 11:54:30 +01:00
Stefan Paquay 4d0a6d83bd Merged Axel's suggestions and updated text 2017-01-06 11:51:42 +01:00
Stefan Paquay 958722573f Merge branch 'github-tutorial-update' of https://github.com/Pakketeretet2/lammps into github-tutorial-update 2017-01-06 11:44:16 +01:00
Stefan Paquay 9d46670972 Updated text and images on reverse pull requests 2017-01-06 11:44:14 +01:00
Stefan Paquay 1a9f2df3d0 Updated text and images on reverse pull requests 2017-01-06 11:44:00 +01:00
Stefan Paquay 1310438c8b Merge pull request #1 from akohlmey/pull-315 
some formatting updates and text rewrites for your pull request
 2017-01-06 11:40:32 +01:00
Dan Ibanez 9bf771207d make PairTable::allocate() virtual 
forgot to extract this change when
separating the commits for PairTableRX
and PairTableKokkos.
 2017-01-05 20:46:05 -07:00
Dan Ibanez b9144d6332 Revert "move enum to pair.h" 
This reverts commit aebc8ea826.
 2017-01-05 20:22:15 -07:00
Dan Ibanez 267f05e5ca protect PairTable dtor with copymode 2017-01-05 15:38:45 -07:00
Dan Ibanez aebc8ea826 move enum to pair.h 
to avoid having it be replicated
in several different locations
 2017-01-05 15:38:45 -07:00
Dan Ibanez 53a1de1d40 fix several GPU memory bugs in pair_table_kokkos 2017-01-05 15:38:45 -07:00
Dan Ibanez d059b5d334 fix crash in create_kokkos_tables 
the code was crashing when trying to
deep_copy or assign views that had
not been allocated
 2017-01-05 15:38:45 -07:00
Dan Ibanez 7cff343680 fix allocation regressions in PairTableKokkos 2017-01-05 15:38:45 -07:00
Dan Ibanez a1ac861084 PairTableKokkos : public PairTable 2017-01-05 15:38:45 -07:00
Dan Ibanez 17bdb57bb4 try PairTableKokkos : public PairTable 
realize that there is a lot of copy-paste
in this codebase.
 2017-01-05 15:38:45 -07:00
Axel Kohlmeyer fe14158c10 some formatting updates and text rewrites in the "do not use git add -a" section 2017-01-04 13:13:56 -05:00
Stefan Paquay 0bcbcca140 Highlighted the assignee, maintainer changes, and mentioned LAMMPS collaborator 2017-01-04 17:28:22 +01:00
Dan Ibanez 4cfe122ac6 fix warning about enum comparisons 2017-01-04 08:10:08 -07:00
Stan Moore b46629ee39 Merge pull request #5 from ibaned/kokkos-fixes 
prevent implicit dereference of s_CTEMP
 2017-01-04 08:06:55 -07:00
Anders Hafreager 42bbeb3f16 NULLing pointers after delete 2017-01-04 16:04:05 +01:00
Stefan Paquay 933b288ce9 Added explaination for assignee, changes pushed by others and collaborator. 2017-01-04 14:31:23 +01:00
Dan Ibanez a7c5905ca4 prevent implicit dereference of s_CTEMP 2017-01-03 15:17:33 -07:00
Anders Hafreager 37d5567f6d Fixed bug in lamda_box_corners function 2017-01-03 11:54:14 +01:00
Anders Hafreager b10d0c17ec Initializing pointers in neighbor.cpp 2017-01-03 11:24:48 +01:00