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13,843 Commits 9 Branches 198 Tags 1.1 GiB
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13843 Commits

Author SHA1 Message Date
David Nicholson e55c90cc44 Moved rerun bug fix to individual affected styles 2017-11-14 14:01:07 -05:00
David Nicholson 751465aad3 Merge branch 'master' into cluster-fragment-aggregate-fixes 2017-11-13 14:32:26 -05:00
Steve Plimpton f2dc764d1d
Merge pull request #723 from lammps/replicate_bbox 
Add bounding box to Replicate command
 2017-11-13 09:01:38 -07:00
Steve Plimpton c4c59b909e
Merge pull request #716 from akohlmey/collected-small-changes 
Collected small changes and bugfixes for next patch
 2017-11-13 09:00:26 -07:00
Steve Plimpton e2e21f0661
Merge pull request #714 from Pakketeretet2/user-manifold-plane-wiggle-fix 
User manifold plane wiggle fix
 2017-11-13 08:59:40 -07:00
Steve Plimpton 6abf68f614
Merge pull request #712 from akohlmey/linalg-for-latte 
Update lib/linalg for use with lib/latte
 2017-11-13 08:59:18 -07:00
Steve Plimpton a97553a92e
Merge pull request #709 from abbatux/patch-1 
Update pair_smd_tlsph.cpp
 2017-11-13 08:58:29 -07:00
Steve Plimpton dbd4acc4d6
Merge pull request #708 from abbatux/patch-2 
Update smd_material_models.cpp
 2017-11-13 08:58:07 -07:00
David Nicholson a085ee0c55 Always build occasional lists on first step 2017-11-13 04:53:16 -05:00
David Nicholson c16b7a3273 Multiple run fix for cluster/aggregate computes 2017-11-12 15:57:53 -05:00
David Nicholson 858065029d Reverse communication compute fragment/aggregate 2017-11-12 15:57:02 -05:00
Axel Kohlmeyer 2e40c00995 add option to the print command to also print to the global universe screen and logfile 2017-11-07 10:00:57 -05:00
Stan Moore e337db4059 Replicate bbox from Chris Knight 2017-11-06 11:31:43 -07:00
Axel Kohlmeyer ba43465268 Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes 2017-11-06 13:30:08 -05:00
Axel Kohlmeyer 09c61ca598 correct listing of USER-OMP variants of fix rigid styles 2017-11-06 13:29:59 -05:00
Axel Kohlmeyer 0f971bf07c print name of unknown or incorrect variable in error message 2017-11-06 10:41:32 -05:00
Axel Kohlmeyer 5a8c5eb479 provide last input command line with error->one() output 2017-11-06 10:41:01 -05:00
Axel Kohlmeyer aa0d6cd75b Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes 2017-11-04 02:49:28 -04:00
Axel Kohlmeyer b34000a5e1 make *_gpu_reinit() functions consistent in returning void. correct prototypes in src/GPU, too. 
this supersedes and closes #719
 2017-11-04 02:49:22 -04:00
Axel Kohlmeyer 65b77230fd added missing "dihedral" in compute dihedral/local docs 2017-11-02 15:04:04 -04:00
Axel Kohlmeyer f6658d10b7 fix incorrect create_atoms example for selecting created atoms with a variable 2017-10-30 23:33:26 -04:00
Axel Kohlmeyer f4d0aa3393 correct cut-n-paste bug reported by Massimo Pica Ciamarra on lammps-users 2017-10-27 11:25:57 -04:00
Stefan Paquay 99a6c6edb4 Fixed a typo in manifold plane wiggle. 2017-10-26 12:33:16 -04:00
Stefan Paquay a26ffc7ff7 Reset plane wiggle in master. 2017-10-26 12:32:30 -04:00
Stefan Paquay b002e071e7 Reset some files back to upstream. 2017-10-26 12:31:30 -04:00
Stefan Paquay 9f44e3e5b0 Merged upstream. 2017-10-26 12:26:34 -04:00
Stefan Paquay e79cd6c62c Moved some stuff around. 2017-10-26 12:25:55 -04:00
Stefan Paquay 82c6fd609e Merge branch 'master' of https://www.github.com/lammps/lammps 2017-10-26 12:06:57 -04:00
Axel Kohlmeyer 2dbb44f2c6 provide Makefile.lammps template for use with bundled linalg lib 2017-10-24 13:38:04 -04:00
Axel Kohlmeyer d1630bbe34 add missing BLAS/LAPACK functions used by LATTE to linalg lib 2017-10-24 13:22:20 -04:00
abbatux 41c25877e8 Update smd_material_models.cpp 
The pressure pFinal using ShockEOS() was of the wrong sign when Gamma = 0.
 2017-10-24 11:04:11 +11:00
Steve Plimpton 39df9f5d94 patch 23Oct17 2017-10-23 16:07:21 -06:00
Steve Plimpton 68d04119d3 Merge pull request #707 from akohlmey/granular-omp-refactor 
Updated neighbor list history processing for USER-OMP
 2017-10-23 13:35:43 -06:00
Axel Kohlmeyer 0148c2ac81 updated neighbor list history processing for USER-OMP 2017-10-23 14:12:19 -04:00
abbatux 253a17b6d0 Update pair_smd_tlsph.cpp 
Correction of a typo in the computation of LAME_LAMBDA.
 2017-10-23 12:45:58 +11:00
Steve Plimpton a7ad12491f Merge pull request #706 from lammps/doc-cs 
update to doc pages for new coreshell pair styles
 2017-10-21 16:12:23 -06:00
Steve Plimpton 2137be3219 update to doc pages for new coreshell pair styles 2017-10-21 15:50:27 -06:00
Steve Plimpton ce78f6943d Merge pull request #705 from akohlmey/fix_rigid_bugfix 
fix segfault bug in fix rigid/small found by regression testing
 2017-10-20 17:01:50 -06:00
Steve Plimpton 998aedc6c1 Merge pull request #670 from vishalkenchan/pair_style/coul_wolf_cs 
add coul/wolf/cs and born/coul/wolf/cs pair styles for CORESHELL package
 2017-10-20 16:09:33 -06:00
Axel Kohlmeyer 0a02c3c78c fix segfault bug for in fix rigid/small found by regression testing 2017-10-20 16:56:06 -04:00
Steve Plimpton aaf5e87c84 Merge pull request #703 from akohlmey/custom-rigid-body-generation 
Allow rigid body generation from custom properties
 2017-10-20 14:08:15 -06:00
Steve Plimpton 2d0f5e277c Merge pull request #704 from akohlmey/bond-gromos-bugfix 
Compute energy correctly for bond style gromos
 2017-10-20 14:06:35 -06:00
Steve Plimpton 260bbc6f9f Merge pull request #702 from giacomofiorin/colvars-fix-the-fix 
Fix a Colvars error that was hidden by the previous segfault
 2017-10-20 14:06:15 -06:00
Axel Kohlmeyer 6b34a30528 compute energy correctly for bond style gromos 2017-10-20 14:53:22 -04:00
Axel Kohlmeyer 83c7d3a1d2 update fix rigid documentation 2017-10-20 14:18:50 -04:00
Axel Kohlmeyer 961b976374 add/correct code to define rigid bodies with atomstyle/atomfile variables and via custom per-atom properties 2017-10-20 13:56:09 -04:00
Axel Kohlmeyer ac6434e496 add input examples for custom rigid body definition 2017-10-20 13:54:45 -04:00
Giacomo Fiorin f479f02589 Fix a Colvars error that was hidden by the previous segfault 2017-10-20 13:41:31 -04:00
vishalkenchan e284545c5b added some documentation and reference example 2017-10-20 12:03:22 +02:00
Steve Plimpton e368acdaeb Merge pull request #700 from giacomofiorin/colvars-fix 
Import segfault fix in Colvars module
 2017-10-19 11:45:36 -06:00