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cbb4abc55c
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improve formatting
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2022-04-15 17:12:31 -04:00 |
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69d9c5187e
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refactor group access, enable and apply clang-format
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2022-04-15 15:29:43 -04:00 |
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4b400fb4a6
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overload count() function to pass in Region pointer directly
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2022-04-14 22:00:50 -04:00 |
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21f24ef572
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Merge pull request #3218 from lammps/mdi-new-functions
MDI new functions
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2022-04-14 20:48:51 -04:00 |
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a0a82cad0b
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Merge pull request #3214 from stanmoore1/kk_tersoff_bugfix
Fix issues in Kokkos Tersoff and Stillinger-Weber pair styles
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2022-04-14 17:28:59 -04:00 |
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e66fb6a1c1
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apply clang-format
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2022-04-14 17:28:05 -04:00 |
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64b1c45a49
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update MDI library and checksum
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2022-04-14 17:27:20 -04:00 |
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20827b4105
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sync with new version of MDI library
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2022-04-14 15:00:09 -06:00 |
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0cfb26799c
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Fix copy/paste error
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2022-04-14 13:47:57 -06:00 |
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5bd86a05b2
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Merge pull request #2906 from jtclemm/BPM
Adding package for bonded particle models
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2022-04-14 15:43:14 -04:00 |
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c5565a4e02
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Small tweaks
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2022-04-14 13:16:44 -06:00 |
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5c70f45feb
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updates to use new funcs from Python as well
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2022-04-14 10:49:12 -06:00 |
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9424c2558e
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enable and apply clang-format. minor cosmetic changes
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2022-04-13 21:05:19 -04:00 |
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1755d06870
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Merge pull request #3216 from lammps/update-citation
update a citation
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2022-04-13 19:16:57 -04:00 |
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bc2b600f09
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changes to use new MDI library functions
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2022-04-13 16:26:48 -06:00 |
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0946d41c3f
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Merge pull request #3215 from megmcca/snap-inner-bug
fix crash with multielement inner cutoff
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2022-04-13 16:17:10 -04:00 |
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30914a73fb
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Update error messages
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2022-04-13 14:10:52 -06:00 |
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44f67330e2
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Port changes to other flavors of Tersoff
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2022-04-13 13:50:49 -06:00 |
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21c61a5c77
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Merge pull request #3213 from akohlmey/gpu-remove-legacy
Remove support for CUDA toolkits before version 8 and GPUs older than Kepler
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2022-04-13 15:10:17 -04:00 |
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bd6d7b9136
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clarify CUDA versus OpenCL build and runtime restrictions
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2022-04-13 14:24:43 -04:00 |
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c9ab5ebbf5
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cosmetic
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2022-04-13 12:59:54 -04:00 |
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2804de8c26
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fix refactoring bug
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2022-04-13 12:59:41 -04:00 |
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fb37c86632
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remove duplicate
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2022-04-13 12:59:30 -04:00 |
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0f1097d7e6
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recover read_restart and read_data capability for fix property/atom
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2022-04-13 12:41:40 -04:00 |
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2d5fadd88f
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Switch to const ref to help compiler
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2022-04-13 10:27:41 -06:00 |
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230bed0bc4
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fix crash with multielement inner cutoff
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2022-04-13 09:49:13 -06:00 |
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9e94722987
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Remove full neigh option in Kokkos Tersoff and SW pair styles
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2022-04-13 08:14:02 -06:00 |
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ef4e41d2a2
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programming style and format updates
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2022-04-12 22:52:07 -04:00 |
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467cae9436
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permissions
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2022-04-12 18:43:47 -04:00 |
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09b08ecd85
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whitespace
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2022-04-12 18:36:51 -04:00 |
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8c153adceb
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spelling
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2022-04-12 18:36:16 -04:00 |
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e89303c202
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Fix compile error with Kokkos CUDA
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2022-04-12 16:31:21 -06:00 |
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622a4a6d51
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Overallocate slightly to reduce memory reallocs
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2022-04-12 16:20:21 -06:00 |
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2998462743
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Add const
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2022-04-12 16:07:37 -06:00 |
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f64d405ad8
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Fixing remaining errors/warnings in doc build
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2022-04-12 15:59:38 -06:00 |
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90a6a3c125
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Fix typo
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2022-04-12 15:57:49 -06:00 |
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2fa99703bf
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Fix issues in Kokkos Tersoff and SW pair styles
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2022-04-12 15:49:28 -06:00 |
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f3363070e7
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remove support for CUDA toolkits before version 8 and GPUs older than Kepler
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2022-04-12 15:48:16 -04:00 |
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ca37c01476
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Fixing broken links/references in documentation
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2022-04-12 13:36:39 -06:00 |
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e1a7ea38a9
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update a citation
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2022-04-12 12:59:25 -06:00 |
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929e46b5c7
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remove dead code
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2022-04-12 11:06:28 -04:00 |
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e1a2423f2e
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modernize, initialize pointers, apply clang-format
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2022-04-12 11:06:18 -04:00 |
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2ff8ac0cb2
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Merge pull request #3210 from arghdos/fix_volatile
Add non-volatile version of join function to DomainKokkos
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2022-04-11 19:48:43 -04:00 |
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12d7ef541b
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Need both versions of join
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2022-04-11 15:13:44 -06:00 |
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804c43b33c
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Merge branch 'develop' of github.com:lammps/lammps into fix_volatile
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2022-04-11 15:11:37 -06:00 |
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49aebf64b9
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include BPM package in multiple presets
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2022-04-11 12:41:28 -04:00 |
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9d907e31b3
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recover compilation
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2022-04-11 12:40:59 -04:00 |
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36723853c9
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Merge branch 'develop' into BPM
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2022-04-11 12:18:34 -04:00 |
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236d275b2f
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Merge pull request #3211 from akohlmey/collected-small-changes
Collected clang-tidy updates
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2022-04-11 11:07:00 -04:00 |
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b36262cd11
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cosmetic
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2022-04-10 20:47:42 -04:00 |
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