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5e16a21d9e
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lower epsilon one more time
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2024-12-17 13:53:35 -05:00 |
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1e0a3f4601
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lower epsilon for macOS
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2024-12-17 12:15:38 -05:00 |
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9732efa32c
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fix whitespace
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2024-12-17 08:31:29 -08:00 |
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6fe5f373d9
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cleaned up remaining comments in pair_granular
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2024-12-17 11:24:32 -05:00 |
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a7ba185a4c
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cleaned up comments
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2024-12-17 11:18:26 -05:00 |
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faab36cbd0
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Merge branch 'develop' into collected-small-changes
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2024-12-17 10:39:55 -05:00 |
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fe77596099
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cosmetic
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2024-12-17 10:39:24 -05:00 |
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4bdf6b0e2e
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make consistent
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2024-12-17 10:39:18 -05:00 |
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8ee83bc926
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Merge pull request #4391 from weinbe2/feature/snap-unify-codepaths
SNAP/Kokkos CPU+GPU code unification and other optimizations
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2024-12-16 23:09:16 -05:00 |
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8daad30ae1
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Re-enable Kokkos OpenMP and Serial code paths for SNAP
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2024-12-16 11:07:47 -07:00 |
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abd9f71990
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remove whitespace from region_prism.cpp
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2024-12-16 19:57:41 +02:00 |
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baa5fa6dfd
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remove whitespace from region_prism.h
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2024-12-16 19:55:27 +02:00 |
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a7561d3d28
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Update region.rst
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2024-12-16 19:53:10 +02:00 |
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96e53c4714
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Actual implementation in region_prism.cpp
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2024-12-16 19:48:00 +02:00 |
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5625f5f3e8
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Variable definition in region_prism.h
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2024-12-16 19:43:48 +02:00 |
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c6e9e90e15
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refactor to mirror airebo/morse class structure
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2024-12-16 09:37:21 -07:00 |
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97f19d9d54
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revert fix_ave_chunk changes
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2024-12-15 17:19:16 -08:00 |
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5ffbf3934b
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use safe version of Domain::minimum_image() for large image flag counts.
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2024-12-15 18:20:38 -05:00 |
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7922c923e2
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Use MY_PI from math_const.h (for Windows)
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2024-12-15 12:26:17 -08:00 |
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5d865598ed
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Fix data file path for large avicel sim
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2024-12-15 11:56:58 -08:00 |
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64c06e9673
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revert verlet.cpp change
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2024-12-15 11:53:48 -08:00 |
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a6d53d8d13
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fix incorrect extvector setting bug for using fix vector with fixes
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2024-12-14 23:11:48 -05:00 |
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861b1fb16f
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small doxygen updates
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2024-12-14 21:40:47 -05:00 |
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afe0d94122
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small fixes for the manual
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2024-12-14 17:12:51 -05:00 |
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c9d0ebadd9
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address spelling issues
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2024-12-14 17:10:22 -05:00 |
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5fa4be4597
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correct references
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2024-12-14 17:09:50 -05:00 |
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4c33bf663d
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whitespace
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2024-12-14 16:58:58 -05:00 |
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e48f288e2b
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result of "make fix-whitespace"
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2024-12-14 13:20:16 -08:00 |
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70c5722e9f
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flatpak updates
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2024-12-14 09:44:57 -05:00 |
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1cb12e3753
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update appdata for flatpak builds
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2024-12-14 08:22:09 -05:00 |
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6124631a65
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updated readme example list order
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2024-12-13 21:18:10 -08:00 |
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1188c38e73
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updated docs example page
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2024-12-13 21:15:24 -08:00 |
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0c91880192
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updated compute_temp_chunk doc
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2024-12-13 21:10:37 -08:00 |
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e3b991c27a
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Merge branch 'develop' of github.com:lammps/lammps into feature/snap-unify-codepaths
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2024-12-13 15:47:30 -07:00 |
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f557b7b0e5
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Need to update define for HIP unified memory
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2024-12-13 11:45:12 -08:00 |
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4c347a719e
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Update docs for Kokkos v4.5.0
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2024-12-13 09:48:16 -07:00 |
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9e3f7e55ee
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Update build systems for Kokkos v4.5.0
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2024-12-13 09:32:45 -07:00 |
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7f68aeb6d5
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Update Kokkos library in LAMMPS to v4.5.0
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2024-12-13 09:23:03 -07:00 |
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2c1447dec6
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Fix more issues
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2024-12-13 09:22:07 -07:00 |
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16e0a7788a
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Now actually added the correct log
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2024-12-13 09:51:07 +01:00 |
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754aa1c73f
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python: doc and example updates
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2024-12-12 23:27:07 -07:00 |
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e45ef5adc0
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unittest: add Python command_wrapper test
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2024-12-12 23:27:07 -07:00 |
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24a4ff78b6
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python: update examples and docs
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2024-12-12 23:27:07 -07:00 |
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d50a62f827
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example readme updated
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2024-12-12 18:32:46 -08:00 |
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5134529ee0
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Merge branch 'develop' into experimental
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2024-12-13 02:14:33 +03:00 |
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1b29f3dc6e
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Fix another issue with gjf flag
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2024-12-12 13:32:53 -08:00 |
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3986ca4289
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Fix more GPU data movement issues with fix langevin/kk and gjf option
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2024-12-12 11:46:09 -08:00 |
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077a229cc8
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merge develop into angle-mwlc
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2024-12-12 16:04:09 +08:00 |
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8f25a31dee
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adapted angle_mwlc to work with units other than lj
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2024-12-12 15:38:34 +08:00 |
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483111b637
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remove references to nonexisting input
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2024-12-12 00:22:51 -05:00 |
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