9f44e3e5b0
Merged upstream.
2017-10-26 12:26:34 -04:00
e79cd6c62c
Moved some stuff around.
2017-10-26 12:25:55 -04:00
82c6fd609e
Merge branch 'master' of https://www.github.com/lammps/lammps
2017-10-26 12:06:57 -04:00
2dbb44f2c6
provide Makefile.lammps template for use with bundled linalg lib
2017-10-24 13:38:04 -04:00
d1630bbe34
add missing BLAS/LAPACK functions used by LATTE to linalg lib
2017-10-24 13:22:20 -04:00
41c25877e8
Update smd_material_models.cpp
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The pressure pFinal using ShockEOS() was of the wrong sign when Gamma = 0.
2017-10-24 11:04:11 +11:00
39df9f5d94
patch 23Oct17
2017-10-23 16:07:21 -06:00
68d04119d3
Merge pull request #707 from akohlmey/granular-omp-refactor
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Updated neighbor list history processing for USER-OMP
2017-10-23 13:35:43 -06:00
0148c2ac81
updated neighbor list history processing for USER-OMP
2017-10-23 14:12:19 -04:00
253a17b6d0
Update pair_smd_tlsph.cpp
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Correction of a typo in the computation of LAME_LAMBDA.
2017-10-23 12:45:58 +11:00
a7ad12491f
Merge pull request #706 from lammps/doc-cs
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update to doc pages for new coreshell pair styles
2017-10-21 16:12:23 -06:00
2137be3219
update to doc pages for new coreshell pair styles
2017-10-21 15:50:27 -06:00
ce78f6943d
Merge pull request #705 from akohlmey/fix_rigid_bugfix
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fix segfault bug in fix rigid/small found by regression testing
2017-10-20 17:01:50 -06:00
998aedc6c1
Merge pull request #670 from vishalkenchan/pair_style/coul_wolf_cs
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add coul/wolf/cs and born/coul/wolf/cs pair styles for CORESHELL package
2017-10-20 16:09:33 -06:00
0a02c3c78c
fix segfault bug for in fix rigid/small found by regression testing
2017-10-20 16:56:06 -04:00
aaf5e87c84
Merge pull request #703 from akohlmey/custom-rigid-body-generation
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Allow rigid body generation from custom properties
2017-10-20 14:08:15 -06:00
2d0f5e277c
Merge pull request #704 from akohlmey/bond-gromos-bugfix
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Compute energy correctly for bond style gromos
2017-10-20 14:06:35 -06:00
260bbc6f9f
Merge pull request #702 from giacomofiorin/colvars-fix-the-fix
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Fix a Colvars error that was hidden by the previous segfault
2017-10-20 14:06:15 -06:00
6b34a30528
compute energy correctly for bond style gromos
2017-10-20 14:53:22 -04:00
83c7d3a1d2
update fix rigid documentation
2017-10-20 14:18:50 -04:00
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
ac6434e496
add input examples for custom rigid body definition
2017-10-20 13:54:45 -04:00
f479f02589
Fix a Colvars error that was hidden by the previous segfault
2017-10-20 13:41:31 -04:00
e284545c5b
added some documentation and reference example
2017-10-20 12:03:22 +02:00
e368acdaeb
Merge pull request #700 from giacomofiorin/colvars-fix
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Import segfault fix in Colvars module
2017-10-19 11:45:36 -06:00
6e7504f153
Import segfault fix in Colvars module
2017-10-19 08:09:44 -04:00
71c4edda51
add coul/wolf/cs and born/coul/wolf/cs pair styles for CORESHELL package
2017-10-19 13:21:13 +02:00
40147a7a64
Merge pull request #699 from lammps/doc-update2
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cross ref fix deform and new fix nvt/uef in doc pages
2017-10-18 16:44:18 -06:00
f709a723cd
cross ref fix deform and new fix nvt/uef
2017-10-18 15:26:15 -06:00
6dd55e49cb
Merge pull request #698 from lammps/doc-update
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small updates to recently added docs and rename of an example dir
2017-10-18 15:24:54 -06:00
281b1dc375
small updates to recently added docs and rename of an example dir
2017-10-18 14:56:47 -06:00
e93f8f8889
Merge pull request #671 from danicholson/user-uef
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USER-UEF package for extensional flow
2017-10-18 13:38:56 -06:00
35f2cfa0bf
Merge pull request #669 from urpedersen/master
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fix rhok - biasing long-range order
2017-10-18 13:31:15 -06:00
e44196c011
Merge pull request #694 from akohlmey/bond-gromos
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Add gromos bond style
2017-10-18 13:27:15 -06:00
2fe1d1b904
Merge pull request #697 from andeplane/fix_heat_bug
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Avoid checking region when not specified
2017-10-18 13:26:19 -06:00
b1b4a52b14
Merge pull request #695 from timattox/USER-DPD_small_updates
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USER-DPD small updates
2017-10-18 13:25:48 -06:00
382de50341
Merge pull request #696 from wmbrownIntel/intel-update-oct17
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Bug fix for unexpected case where a Intel bonded style is specified but there are no types
2017-10-18 13:25:07 -06:00
7dfc6b7eab
Merge pull request #688 from lammps/history
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refactoring of neighbor history
2017-10-18 13:24:36 -06:00
19eb5d3897
Avoid checking region when not specified
2017-10-18 18:05:34 +02:00
17c17ac409
update multi-threaded neighbor list build for neighbor list refactor
2017-10-18 11:25:15 -04:00
39ededd46c
update respa/omp integrator style for neighbor list refactor
2017-10-18 11:24:44 -04:00
2c7528811d
update several pair styles to be compliant with refactored respa lists data structures
2017-10-18 11:24:12 -04:00
0966e14e73
more changes to rRESPA neighbor lists
2017-10-17 17:33:01 -06:00
bb141aaae0
USER-INTEL: Bug fix for case where a bond/angle/dihedral/improper style is specified, but there are no bond/... types and therefore no allocation.
2017-10-16 22:51:56 -07:00
374d619769
add gromos bond style
2017-10-16 14:57:12 -04:00
59de1a71c8
Merge branch 'history' of github.com:lammps/lammps into history
2017-10-16 14:37:30 -04:00
4c6779cb0d
USER-DPD Kokkos: propagate the new neigh_modify options from efaa4c67
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Propogate the efaa4c67
2017-10-16 13:37:27 -05:00
5fb5f70ec6
update USER-OMP code for shear history neighbor refactoring
2017-10-16 14:37:20 -04:00
b0bba1976b
USER-DPD: remove unused coord2bin() variants, and add ISFINITE checks
2017-10-16 13:36:44 -05:00
f8f13d929f
Merge pull request #693 from giacomofiorin/colvars-update
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Update Colvars to version 2017-10-11
2017-10-13 17:25:06 -06:00
