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6b22886064
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small docs fixes
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2022-07-07 10:39:11 -04:00 |
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4aa0132860
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cosmetic
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2022-07-07 10:35:34 -04:00 |
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b7457fe834
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Initial commit for pair style srp-react files
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2022-07-06 10:55:14 -04:00 |
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b8acd2e31d
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Merge pull request #3329 from stanmoore1/kk_update_3.6.1
Update Kokkos library in LAMMPS to v3.6.1
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2022-07-04 10:43:55 -04:00 |
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d7919f3a4e
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Merge pull request #3330 from lammps/extract-atom-sp
Add per-atom sp array to extract()
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2022-07-02 12:04:50 -04:00 |
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8e4b3fd41b
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Merge pull request #3328 from stanmoore1/kk_meam_release
Add Kokkos version of pair MEAM
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2022-07-02 03:51:51 -04:00 |
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b81df6a720
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silence compiler warnings
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2022-07-01 21:26:06 -04:00 |
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ae26b489dd
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fix typo
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2022-07-01 21:25:57 -04:00 |
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4012897bff
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whitespace fixes and clang-format
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2022-07-01 21:19:12 -04:00 |
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146b00c395
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Merge pull request #3307 from lammps/fix-mdi-aimd-enhance
MDI package enhancements
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2022-07-01 20:48:40 -04:00 |
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f245a4313e
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Merge pull request #3327 from akohlmey/collected-small-fixes
Collected small fixes
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2022-07-01 17:21:05 -04:00 |
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cf49042fe6
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Update Kokkos version in CMake
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2022-07-01 14:13:08 -06:00 |
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2d366ce220
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add per-atom sp to extract()
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2022-07-01 14:08:46 -06:00 |
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2bfbd6fba1
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Update Kokkos library in LAMMPS to v3.6.1
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2022-07-01 13:17:50 -06:00 |
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becd876166
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small tweaks
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2022-07-01 12:28:13 -06:00 |
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27165f82b4
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Fix urls and license
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2022-07-01 12:09:48 -06:00 |
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23ee2a97fa
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Whitespace
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2022-07-01 11:24:50 -06:00 |
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ae7215037d
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Finish porting pair MEAM to Kokkos
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2022-07-01 11:20:51 -06:00 |
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607ed68acd
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Merge branch 'develop' of https://github.com/lammps/lammps into kk_meam_release
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2022-07-01 11:14:39 -06:00 |
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957a8c85a9
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formatting corrections and minor tweaks to the Argon viscosity howto
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2022-07-01 09:26:23 -04:00 |
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0157a7d0d3
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make certain to switch to the expected source folder when building n2p2 lib
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2022-07-01 05:49:24 -04:00 |
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6a813bba69
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restore bikflag parsing and initialization that was removed in commit 44436c0eb6
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2022-07-01 04:36:49 -04:00 |
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41bb5850b3
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Fixed temperature in argon GK example
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2022-07-01 00:36:43 -04:00 |
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940cbe3133
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Updated timestamp for local array
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2022-07-01 00:36:37 -04:00 |
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4ff683a3ca
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MPI may need to include multiple folders (e.g. on Ubuntu with OpenMPI)
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2022-07-01 00:05:04 -04:00 |
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b6f7dd9df9
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update googletest to version 1.12.1
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2022-06-30 15:58:40 -04:00 |
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ff56f75fca
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abort when there was an error writing to the dump file
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2022-06-30 15:57:47 -04:00 |
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e34e9aca48
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improve consistency between CMake and GNU make build. Must explicitly link python when building a static mdi lib
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2022-06-30 15:45:52 -04:00 |
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d1d51636a7
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fix typo
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2022-06-30 11:19:38 -06:00 |
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8f524cde33
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Merge branch 'fix-mdi-aimd-enhance' of github.com:lammps/lammps into fix-mdi-aimd-enhance
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2022-06-30 11:17:19 -06:00 |
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aebf53679e
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add Python/MDI info the examples/mdi/README
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2022-06-30 11:17:13 -06:00 |
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0ae6f1c30e
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Merge pull request #3322 from akohlmey/collected-small-fixes
Collected small fixes
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2022-06-29 18:03:08 -04:00 |
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533a56404a
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add more unit tests for boolean expressions
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2022-06-29 16:45:28 -04:00 |
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8d8f7983fb
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fix bug in recent bugfix
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2022-06-29 16:45:11 -04:00 |
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bb3cd71e77
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Merge branch 'develop' into collected-small-fixes
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2022-06-29 16:43:47 -04:00 |
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0156efc70f
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Merge pull request #3319 from lammps/boolean-bug
Boolean bug fix
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2022-06-29 15:26:11 -04:00 |
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f273a28a2a
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whitespace
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2022-06-29 12:26:16 -04:00 |
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646fe885c2
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Merge branch 'develop' into boolean-bug
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2022-06-29 12:25:44 -04:00 |
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137dc6243e
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whitespace
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2022-06-29 12:25:15 -04:00 |
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793069d8eb
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update and expand unit tests for if() command boolean evaluation
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2022-06-29 12:24:43 -04:00 |
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1fabd5a56b
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change boolean = single string to an error
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2022-06-29 07:49:22 -06:00 |
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8d272db37a
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whitespace
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2022-06-29 05:14:04 -04:00 |
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7317c5de38
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Merge branch 'develop' into collected-small-fixes
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2022-06-29 05:13:24 -04:00 |
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7af48c3156
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Merge pull request #3317 from stanmoore1/bugfixes
KOKKOS Bugfixes
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2022-06-29 05:09:23 -04:00 |
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1dc71ef3e3
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better error strings
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2022-06-28 16:38:51 -06:00 |
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e4e9b2e49a
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more consistency checks
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2022-06-28 16:37:04 -06:00 |
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ae235b1ef5
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Boolean expression corner case
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2022-06-28 16:19:06 -06:00 |
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1fe7fdc7d6
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Add more missing Kokkos data movement
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2022-06-28 15:04:10 -06:00 |
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373c719f4f
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make compilation settings consistent with CMake
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2022-06-28 15:22:54 -04:00 |
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56e1207024
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Add missing GPU <--> CPU data transfer in minimize Kokkos
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2022-06-28 12:03:34 -06:00 |
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