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741db3da28
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0
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2023-06-05 10:55:24 -06:00 |
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806af5322e
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Kokkos package optimizations
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2023-05-05 19:08:02 -06:00 |
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0be9206c08
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Merge branch 'develop' into kk_update_4.0
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2023-04-24 09:05:29 -06:00 |
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8a118b6f17
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Merge pull request #16 from rbberger/kk_cpp17_update
Cleanups and HIP bugfix
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2023-04-24 09:01:59 -06:00 |
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65a42d3921
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kokkos: make use of NeedDup_v
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2023-04-22 17:05:05 -06:00 |
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d3b48a9346
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kokkos: use std::enable_if_t and std::is_same_v
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2023-04-22 16:20:04 -06:00 |
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b58368dc34
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whitespace
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2023-04-19 13:31:37 -06:00 |
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5cb3d15ada
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Add Kokkos support for atom sorting on device
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2023-04-19 12:47:38 -06:00 |
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88dcad59af
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silence compiler warnings
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2023-04-14 14:59:25 -04:00 |
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382c09abcb
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Use correct var
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2023-04-11 16:55:45 -06:00 |
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12731f23a7
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Fix more issues
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2023-04-11 16:51:04 -06:00 |
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4a760f5e81
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Fix another bug
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2023-04-11 15:05:08 -06:00 |
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3249d9eba3
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Fix bug in new code
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2023-04-11 11:41:14 -06:00 |
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dc4e4e6329
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More tweaks
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2023-04-10 14:01:01 -06:00 |
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9a1250a9d7
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Merge branch 'develop' of https://github.com/lammps/lammps into granular-kokkos
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2023-04-10 12:46:13 -06:00 |
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96b696450c
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Fix GPU issues
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2023-04-10 11:03:54 -06:00 |
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8e4e0e3749
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whitespace
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2023-04-03 10:23:15 -06:00 |
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0bac0b4e0f
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Fix issue with Kokkos fix shake on GPUs from #3719
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2023-04-03 10:11:04 -06:00 |
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932d54b5eb
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Merge branch 'shake_closest' of github.com:stanmoore1/lammps into granular-kokkos
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2023-03-31 16:11:45 -06:00 |
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c36ae07bd1
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Temp solution for Kokkos min_post_force
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2023-03-31 14:25:30 -06:00 |
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06d67756d4
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Fix issue with shake stats on GPU
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2023-03-31 14:15:20 -06:00 |
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909b20c00a
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Fix GPU issues
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2023-03-31 13:01:25 -06:00 |
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d9fcc4b968
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Port Steve's changes to Kokkos
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2023-03-31 11:45:33 -06:00 |
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d03fc75329
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Fix issues in new Kokkos code
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2023-03-31 11:02:11 -06:00 |
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31bd8ce0c8
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Port changes to Kokkos
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2023-03-31 09:55:17 -06:00 |
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0a5f523eae
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whitespace
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2023-03-23 13:51:59 -06:00 |
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e2aa948fac
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Fix more issues
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2023-03-07 16:30:18 -07:00 |
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5e4714b41e
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Fix some issues with new code in fix shake
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2023-03-06 16:31:19 -07:00 |
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b2c636af75
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Another refactor, port fix shake
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2023-03-03 15:04:44 -07:00 |
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88cc0b646a
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Fix memory leak in Kokkos fix shake
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2022-12-14 15:05:27 -07:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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caf21d09b4
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disallow using fix shake/rattle with KOKKOS during minimization (for now)
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2022-08-05 18:12:29 -04:00 |
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114b19f620
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make certain that the fix energy is properly reset to zero
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2022-06-23 06:51:13 -04:00 |
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a7b6dc7b59
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initial implementation of minimizer support in fix shake/rattle
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2022-04-30 19:03:28 -04:00 |
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4c0192cae1
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rename forward communication functions for pair, fix, compute, and dump
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2022-02-21 21:15:10 -05:00 |
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b2916339a4
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Add NeedDup_v and AtomicDup_v helpers to KOKKOS
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2022-01-31 13:42:03 -05:00 |
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01d7afdaa4
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Small refactor
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2021-07-12 15:54:02 -06:00 |
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4f6e28a0d8
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Refactor use of Kokkos::UnorderedMap to fix Cuda issue
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2021-07-06 13:49:12 -06:00 |
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a4c2bc13cf
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Add atom_map hash option for Kokkos package
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2021-06-28 08:38:31 -06:00 |
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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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d8291eea7b
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Merge branch 'master' into prepare-clang-format
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
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2021-05-11 21:49:48 -04:00 |
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d1941392d3
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disable clang-format for all existing .cpp files (for now)
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2021-05-05 23:53:38 -04:00 |
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9f4da1128b
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remove optional logflag argument from Error::message() and Error::warning()
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2021-05-05 16:02:51 -04:00 |
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6b04ebd617
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Merge branch 'master' into varargs-log-error-functions
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2021-04-26 13:27:58 -04:00 |
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e9e0bb71b6
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Use varargs version of Error:all() and Error::one() where applicable
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2021-04-25 21:30:51 -04:00 |
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df7fe4431f
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make LAMMPS homepage URL and C++ indicator comments consistent
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2021-04-22 21:26:07 -04:00 |
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183b30abd7
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use strmatch() consistently to detect respa and verlet runstyles with optional suffix
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2021-03-30 18:30:22 -04:00 |
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d1be5d49ca
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Merge branch 'master' into thermo-energy
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2021-01-26 18:37:05 -05:00 |
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3bbedb1cd9
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whitespace
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2021-01-22 08:55:20 -07:00 |
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