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e2bc4d461e
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cmake: update latte to v1.1.1
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2018-04-10 17:26:16 -06:00 |
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dee945c01d
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cmake: bump openkim to v1.9.4
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2018-04-10 15:44:13 -06:00 |
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bc49ce611a
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restore python3 compatibility
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2018-04-09 23:08:49 -04:00 |
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72cd13aac7
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cmake: add openkim build as external project
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2018-04-06 17:22:54 -06:00 |
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49d524e442
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Remove unused variables in pair_reaxc_kokkos
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2018-04-05 11:58:47 -06:00 |
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3c6102a0c3
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Tweak whitespace in Makefile.kokkos_cuda_mpi
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2018-04-05 11:49:57 -06:00 |
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4517c85c77
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Use reference to improve performance in pair_reaxc_kokkos
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2018-04-05 11:47:22 -06:00 |
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aa4f044709
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Deallocate views of views in serial to prevent race condition in Kokkos profiling tools
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2018-04-05 11:44:19 -06:00 |
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2d4e0fcfd3
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purge deleted file in KIM package
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2018-04-04 13:24:05 -04:00 |
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4fa95de91c
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update logfiles for gcmc example inputs
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2018-04-04 12:33:48 -04:00 |
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24e0ca5377
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avoid warning about group all
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2018-04-04 12:28:20 -04:00 |
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e1a17d428f
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print the warning about using group all with fix gcmc only from MPI rank 0
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2018-04-04 12:26:43 -04:00 |
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8e3ba36a4f
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Merge pull request #866 from lammps/header-error-messages
add placeholders to include files for error messges
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2018-04-04 09:45:07 -06:00 |
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12bc84163d
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remove or reformulate references to USER-CUDA package, which no longer exists
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2018-04-04 11:06:20 -04:00 |
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5221ac2d55
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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af8e258ebb
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Revert to previous code without plug-in interface
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2018-04-03 17:17:23 -05:00 |
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d1356c1d76
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Made ndof dynamic for temperature fixes and computes
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2018-04-03 15:07:04 -06:00 |
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3f3bab4e71
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Create KIM_LAMMPS_PlugIn.h & related changes
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2018-04-02 11:45:35 -05:00 |
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f089d8d247
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use correct installed kim lib when adding new models
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2018-04-02 09:39:44 -05:00 |
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25d2f4b1f6
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Update pair_kim for v1.9.4 and versatile linking
Use dlopen instead of directly linking to kim-api
library. This will allow for easier distribution
of LAMMPS with support for KIM Models.
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2018-04-02 09:39:44 -05:00 |
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0bfb6f0c2a
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Merge branch 'master' of github.com:lammps/lammps
patch_30Mar2018
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2018-03-30 15:22:15 -06:00 |
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7786cb5a4b
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patch 30Mar18
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2018-03-30 15:21:55 -06:00 |
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e476f89b47
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Merge pull request #860 from lammps/doctweak
alphabetize correction in docs
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2018-03-30 10:10:34 -06:00 |
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bfc07712cf
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alphabetize correction in docs
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2018-03-30 09:48:15 -06:00 |
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ee5ad9cbb3
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Merge pull request #857 from lammps/resetids
new reset_ids command and dump_modify delay option
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2018-03-30 09:45:02 -06:00 |
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a19e8fb269
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Merge branch 'master' into resetids
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2018-03-30 09:15:24 -06:00 |
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81caeffb38
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Merge pull request #855 from lammps/dumpinc
new dump_modify refresh and compute displace/atom refresh commands fo…
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2018-03-30 09:07:19 -06:00 |
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a4795df5f9
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complete integration of reset_ids into the documentation build system
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2018-03-30 10:49:38 -04:00 |
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ef8423918a
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fix typo
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2018-03-29 17:04:53 -04:00 |
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0984e94c04
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Merge pull request #858 from junghans/fix_return
MathSpecial::fm_exp: fix return value on ppc64
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2018-03-29 08:11:33 -06:00 |
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2a930dac42
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Merge pull request #856 from akohlmey/fix_srp_bugfix
Bugfix for SRP with triclinic cells
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2018-03-29 08:10:55 -06:00 |
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09313cf3b5
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shift files into doc/src
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2018-03-28 13:35:13 -06:00 |
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6dff29bb9c
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remove files that were added in error last summer by a pull request
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2018-03-28 13:52:07 -04:00 |
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c664f46b31
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MathSpecial::fm_exp: fix return value on ppc64
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2018-03-28 11:51:04 -06:00 |
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5fd17670b1
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new reset_ids command and dump_modify delay option
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2018-03-28 11:31:35 -06:00 |
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b37664b44e
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squash bug in fix srp that was incorrectly comparing cutoffs for triclinic cells
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2018-03-28 10:57:13 -04:00 |
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b5b0f67bcd
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Merge pull request #852 from akohlmey/collected-small-bugfixes-and-updates
Collected small bugfixes and cleanups
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2018-03-27 15:43:57 -06:00 |
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a524d8c193
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Merge pull request #854 from lammps/readdump
new option *add keep* added to read_dump
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2018-03-27 14:39:35 -06:00 |
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b571f5423a
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Merge pull request #850 from lammps/addlib
a few new lib interface methods
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2018-03-27 14:39:16 -06:00 |
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2aef3a0e96
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new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
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2018-03-27 14:37:04 -06:00 |
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da9f63210e
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rephrase error message, remove trailing whitespace
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2018-03-27 13:59:21 -04:00 |
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e8b8428f6b
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new option *add keep* added to read_dump
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2018-03-27 10:08:58 -06:00 |
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1956d93af9
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doc tweak on added lib functions
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2018-03-27 09:58:53 -06:00 |
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48509622fe
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fix bug reported in issue #851
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2018-03-26 11:51:00 -04:00 |
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f38169f19c
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do not capitalize library.cpp, even if it is at the beginning of a sentence
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2018-03-23 16:08:40 -04:00 |
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24e48760da
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Merge pull request #845 from akohlmey/dummy-pair-restart-warning
More consistent and transparent handling for force styles with restarts
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2018-03-23 13:47:43 -06:00 |
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b5ee713779
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Merge pull request #849 from stanmoore1/kk_deprecated
Remove deprecated Kokkos code
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2018-03-23 13:42:39 -06:00 |
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e73663d1de
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Merge pull request #847 from akohlmey/collected-small-changes
Collected small changes and bugfixes
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2018-03-23 13:41:22 -06:00 |
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5770a59ead
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Merge pull request #846 from akohlmey/pdf-manual-reorg
Refactor PDF Manual Structure
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2018-03-23 13:40:35 -06:00 |
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db5a6b272b
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Merge pull request #842 from martok/meamc-bugfix
MEAM/C Improvements/fixes
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2018-03-23 13:40:14 -06:00 |
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