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c22c6e4d34
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Add LAMMPS changes to Kokkos Makefile
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2018-11-12 15:30:14 -07:00 |
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b2d67bcbb5
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Remove tpls dir
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2018-11-12 15:18:06 -07:00 |
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b3f08b38a2
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Update Kokkos library in LAMMPS to v2.7.24
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2018-11-12 15:16:26 -07:00 |
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8e9d4f5bce
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modify bond style hybrid, so it can handle bond style quartic as a sub-style
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2018-11-12 16:06:55 -05:00 |
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fe07ad279d
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added NULL declations to constructor, removed debug code
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2018-11-12 12:32:54 -07:00 |
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5062c43aea
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rename example outputs
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2018-11-12 12:32:53 -07:00 |
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90caf0019c
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fix doc page errors
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2018-11-12 12:32:53 -07:00 |
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3b7ebbb8df
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new hyper examples
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2018-11-12 12:32:53 -07:00 |
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d7a479d2f6
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hyper example dir
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2018-11-12 12:32:52 -07:00 |
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0c8ce199af
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more updates to hyper docs
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2018-11-12 12:32:52 -07:00 |
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4a6f088c0b
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updates to hyper doc pages
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2018-11-12 12:32:52 -07:00 |
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56598fcd0b
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changes to prd command doc page
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2018-11-12 12:32:52 -07:00 |
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265c11dca9
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more edits to hyper docs
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2018-11-12 12:32:52 -07:00 |
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d6631266ce
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doc files in wrong dir
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2018-11-12 12:32:52 -07:00 |
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fbd610b8a9
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global/local hyperdynamics src and doc files
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2018-11-12 12:32:52 -07:00 |
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86d1304176
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cmake: update doc aobut executables
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2018-11-10 18:58:53 -07:00 |
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f68d77c7af
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correct formatting
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2018-11-09 08:03:58 -05:00 |
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7a4f534676
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replace non-ASCII character
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2018-11-09 08:03:41 -05:00 |
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729201ab93
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fix typo reported in #1199
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2018-11-09 08:03:19 -05:00 |
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ab8215a669
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remove dead code
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2018-11-09 01:09:31 -05:00 |
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fe04147ee0
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fix typo
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2018-11-09 01:09:22 -05:00 |
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62b1159673
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update presets for USER-PLUMED package. fix typo.
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2018-11-09 01:08:57 -05:00 |
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adeb0c2b54
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replace faulty preprocessor logic
fixes #1196
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2018-11-09 01:08:57 -05:00 |
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1651a21f92
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Merge pull request #1198 from akohlmey/next-patch-release
Patch release 9 November 2018
patch_9Nov2018
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2018-11-08 20:49:49 -05:00 |
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cbae3b5afa
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Merge pull request #1184 from DiscreteLogarithm/sdpd
add USER-SDPD package for Smoothed Dissipative Particle Dynamics
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2018-11-08 17:21:21 -05:00 |
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f2a29880e2
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patch 9Nov2018
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2018-11-08 16:48:43 -05:00 |
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e0955f6434
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Merge branch 'master' into sdpd to resolve merge conflicts
# Conflicts:
# cmake/CMakeLists.txt
# src/Makefile
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2018-11-08 16:32:02 -05:00 |
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3681bc853d
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Merge pull request #1195 from jrgissing/bond/react-custom_edges
Bond/react: charge update for custom edges
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2018-11-08 16:19:23 -05:00 |
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a6e9b99295
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Merge pull request #1180 from gtribello/master
Add natively supported PLUMED interface to LAMMPS
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2018-11-08 16:16:50 -05:00 |
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893a51ce14
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Merge pull request #1191 from akohlmey/msi2lmp-avoid-bad-topology
Dihedral generation bugfix for msi2lmp
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2018-11-08 16:10:31 -05:00 |
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80ee08482c
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Merge pull request #1182 from junghans/pkgconfig_doc
liblammps.pc: add some more documentation
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2018-11-08 16:10:15 -05:00 |
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bbb371134d
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include USER-SDPD package in list of user packages in conventional make
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2018-11-06 22:38:02 -05:00 |
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a1e8992eac
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replace non-ASCII characters
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2018-11-06 22:21:19 -05:00 |
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baa7b705b8
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improve logic and grammar of error messages
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2018-11-06 22:13:38 -05:00 |
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2d12260ade
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remove bogus single function and set single_enable = 0
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2018-11-06 22:13:05 -05:00 |
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31277349c6
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remove dead code and avoid compiler warnings
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2018-11-06 22:10:27 -05:00 |
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df232c1cf6
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use c++ style include files for c-library functions
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2018-11-06 22:09:05 -05:00 |
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bdf73f7adb
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ignore USER-SDPD files when installed
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2018-11-06 22:07:35 -05:00 |
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84fcf01bed
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bond/react: allow custom update of charges near template edges
also, fixes a bug introduced in PR #1189, when not using stabilization
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2018-11-06 19:59:22 -07:00 |
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cc0d685e8e
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Merge pull request #32 from lammps/master
rebase
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2018-11-06 19:52:08 -07:00 |
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5196fa37e0
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Merge pull request #1194 from ohenrich/user-cgdna
Update reference for USER-CGDNA
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2018-11-06 15:52:22 -05:00 |
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4e6253254c
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Merge branch 'master' into user-cgdna
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2018-11-06 19:48:06 +00:00 |
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562296bdb7
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Updated link to preprint article
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2018-11-06 19:44:35 +00:00 |
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91c4ef6f64
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Merge pull request #1189 from jrgissing/bond/react-custom_group
Bond/react custom group support
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2018-11-06 10:32:06 -05:00 |
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f46d6a4312
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Merge pull request #1192 from julient31/master
update reference for SPIN package
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2018-11-06 10:26:27 -05:00 |
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cb828e9579
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update reference
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2018-11-06 07:48:47 +01:00 |
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ed77701e56
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Merge pull request #31 from lammps/master
rebase
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2018-11-05 20:25:38 -07:00 |
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7ed6cab040
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do not generate illegal dihedrals, e.g. from 3-membered rings
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2018-11-05 20:35:43 -05:00 |
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81e79ec884
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Have KIM use LAMMPS specified compilers
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2018-11-05 15:39:10 -06:00 |
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4a4147e0e4
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Remove hard-coded compiler versions for KIM in CMake
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2018-11-05 11:15:07 -06:00 |
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