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c589029219
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Merge pull request #1002 from rbberger/set_velocity_command
Allow 'set' command to change atom velocities
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2018-07-16 08:50:15 -06:00 |
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140767be16
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Merge pull request #1001 from stanmoore1/kk_bugfix
Fix rare crash in Kokkos ReaxFF on GPUs
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2018-07-16 08:49:30 -06:00 |
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1c007ce7a1
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Merge pull request #1000 from HaoZeke/fixDocs
docs: Fix sneaky unicode character
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2018-07-16 08:49:13 -06:00 |
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6f1b6e7abd
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Merge pull request #999 from junghans/cmake_doc
cmake/README.md: fix GPU_ARCH options
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2018-07-16 08:48:48 -06:00 |
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5fc4aaef06
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Merge pull request #940 from Pakketeretet2/port-enforce2d-kokkos
Port enforce2d kokkos
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2018-07-16 08:48:21 -06:00 |
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406aaf011f
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Improving global memory access pattern for firstflag and firstvalue in FixNeighHistoryKokkos.
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2018-07-16 15:30:24 +01:00 |
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f7d551eb54
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Added a figure illustrating pair body rounded/polygon and rounded/polyhedron
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2018-07-15 08:27:55 -05:00 |
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aa3d3213c9
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Update set command documentation
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2018-07-13 23:06:42 -04:00 |
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d00eaef070
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Allow 'set' command to change atom velocities
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2018-07-13 23:05:44 -04:00 |
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e7f4e059cf
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convert to KSspace style rather than fix
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2018-07-13 16:46:06 -06:00 |
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286a284c5a
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Merge branch 'gran_mods' of github.com:dsbolin/lammps
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2018-07-13 15:06:44 -06:00 |
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eeaf907227
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Resolved merge conflict.
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2018-07-13 21:36:40 +01:00 |
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b461967e91
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Updated documentation and source
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2018-07-13 20:45:06 +01:00 |
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8447d8dd91
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Updated doc pages for pair body rounded/polygon and rounded/polyhedra
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2018-07-13 14:34:50 -05:00 |
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bf5fbc92df
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Updated documentation and source
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2018-07-13 20:18:53 +01:00 |
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6cfdcd1000
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removed custom error message, information is added to error->one() call
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2018-07-13 08:49:47 -06:00 |
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cdf091f228
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fixed an error in the scafacos example (added missing keyword tolerance)
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2018-07-13 08:37:29 -06:00 |
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d4f8940ff2
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Update command doc page for Kokkos enforce2d
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2018-07-13 07:40:06 -06:00 |
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16381a52b1
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Fix crash in ReaxFF on GPUs
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2018-07-12 20:22:38 -06:00 |
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85511a4db8
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docs: Fix sneaky unicode character
Fixes the `pdf` target of the `Makefile`.
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2018-07-13 00:44:04 +05:30 |
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c442166ded
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Tidied up example directory for PLUMED
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2018-07-12 16:22:40 +01:00 |
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21f749243a
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Required newton on for pair styles body rounded/polygon and rounded/polyhedron
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2018-07-12 10:21:06 -05:00 |
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4ac47ba037
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cmake/README.md: fix GPU_ARCH options
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2018-07-12 07:27:11 -06:00 |
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6d9face1ec
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Added documentation describing PLUMED package installation
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2018-07-12 12:26:09 +01:00 |
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6dfb74f23e
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Merge pull request #997 from lammps/balance-bug-fix
2 small bug fixes to load balancing
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2018-07-11 16:13:22 -06:00 |
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67e6afaab2
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Update to KIM kim-api-v2.0.0-beta.1
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2018-07-11 15:09:58 -07:00 |
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3e73418601
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Updated example/kim log files
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2018-07-11 15:09:58 -07:00 |
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81e33f5f78
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Minor fixes & Error message updates in pair_kim.h
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2018-07-11 15:09:58 -07:00 |
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af42251142
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Update doc/src/pair_kim.txt
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2018-07-11 15:09:58 -07:00 |
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fcec1498e3
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update input example scripts for pair_kim
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2018-07-11 15:09:58 -07:00 |
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90a9b7ccd1
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Remove pair_kim support for partialVirial - do it w/fdotr
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2018-07-11 15:09:58 -07:00 |
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7eeb96f1af
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Update pair_kim to work with new neig. list Hints
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2018-07-11 15:09:58 -07:00 |
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0264e044e2
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Update example/kim input files
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2018-07-11 15:09:58 -07:00 |
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0fbc6bebf5
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Fix no-virial support -> LAMMPSvirial in pair_kim
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2018-07-11 15:09:58 -07:00 |
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5bdc295331
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Add skin to pair_kim neigh-list cutoffs & update docs
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2018-07-11 15:09:58 -07:00 |
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68ec8822ee
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Update example/kim/log.*
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2018-07-11 15:09:58 -07:00 |
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955fe583d8
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Updated docs for new pair_kim
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2018-07-11 15:09:57 -07:00 |
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cb21051eb8
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Update KIM Model matching code in pair_kim.cpp
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2018-07-11 15:09:28 -07:00 |
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199a017148
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Some cleanup in pair_kim
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2018-07-11 15:09:28 -07:00 |
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a7e3ccd8c4
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Finish off multi-neighbor list support for pair_kim
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2018-07-11 15:09:28 -07:00 |
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f1f140dd5f
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remove unnecessary code in pair_kim.cpp
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2018-07-11 15:09:28 -07:00 |
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cb07782935
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Multiple neig lists working in pair_kim
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2018-07-11 15:09:28 -07:00 |
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5958b24edc
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Adjust some internal pair_kim things
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2018-07-11 15:09:28 -07:00 |
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8a8b968d55
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Fixup the pressure/virial computation in pair_kim
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2018-07-11 15:09:28 -07:00 |
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da9441471a
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Fixup partialVirial bug in pair_kim
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2018-07-11 15:09:28 -07:00 |
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906a12353c
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Fixup neighbor list settings for pair_kim
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2018-07-11 15:09:28 -07:00 |
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8bbba22867
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First working version of pair_kim with kim-api-v2
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2018-07-11 15:09:28 -07:00 |
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2fa9a986de
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Strip out all but NEIGH_PURE_F and Loca from pair_kim
Progress toward implementation of kim-api-v2 support
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2018-07-11 15:09:28 -07:00 |
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b31f0245d0
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2 small bug fixes to load balancing
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2018-07-11 15:55:16 -06:00 |
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4734bc09dc
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Added descriptions of static linking of PLUMED to README files
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2018-07-11 21:56:08 +01:00 |
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