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22d0b202c4
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update example logs for change in cutoff setting
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2024-02-22 13:37:59 -05:00 |
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36fa601fe0
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cutoff calculation inherited from but only required for AIREBO. up to 2x speedup
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2024-02-22 13:33:04 -05:00 |
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bed84841ad
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update comment header to point to the LAMMPS developers email address
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2024-02-22 09:57:42 -05:00 |
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3a82e76607
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small corrections
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2024-02-22 09:15:18 -05:00 |
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d6d9a91126
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add rebomos potential with examples and unit test
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2024-02-22 09:13:21 -05:00 |
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325a7d99d6
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error out when cuFFT is not found
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2024-02-22 07:47:37 -05:00 |
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3ff2b1b43b
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silence compiler warnings
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2024-02-22 05:07:08 -05:00 |
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00615d94ad
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Merge branch 'develop' into collected-small-fixes
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2024-02-22 04:56:43 -05:00 |
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71e0d506e7
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spelling
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2024-02-22 04:56:27 -05:00 |
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f15acfffaf
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Merge branch 'develop' into fix_wall_flow
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2024-02-22 04:51:43 -05:00 |
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5cadcbfd68
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silence compiler warnings
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2024-02-22 04:51:35 -05:00 |
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6af4dac2e5
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Error::all() must be called by all MPI ranks
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2024-02-22 04:41:16 -05:00 |
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86d306b502
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avoid excessive copies
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2024-02-22 04:40:55 -05:00 |
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a466d74f31
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document requirement of per-type masses
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2024-02-22 04:34:22 -05:00 |
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f1a5dd0479
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Change warnings to errors
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2024-02-22 12:28:23 +03:00 |
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6ac24c297a
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Add check for varying box size
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2024-02-22 11:50:05 +03:00 |
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e51a65696d
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Merge pull request #4017 from jtclemm/stress_deform
Expanding deformation controls
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2024-02-21 21:04:50 -05:00 |
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14348a599c
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monte carlo insertions and pair style dsmc require per-type masses
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2024-02-21 20:59:48 -05:00 |
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71385add8b
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integrate into documentation system. correct links/references.
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2024-02-21 17:50:55 -05:00 |
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b9685e79ea
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Merge branch 'develop' into stress_deform
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2024-02-21 17:35:39 -05:00 |
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06b69f2d40
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whitespace
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2024-02-21 17:35:28 -05:00 |
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11675587df
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tweak to underlining
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2024-02-21 14:28:53 -07:00 |
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cd4c97f8d8
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doc adjust and code comments
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2024-02-21 14:18:26 -07:00 |
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0f34c1ec6e
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Add check for triclinic and periodic boundary
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2024-02-21 21:16:21 +03:00 |
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e20ea968b9
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Add some clarifications to the doc
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2024-02-21 20:49:19 +03:00 |
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81609d04e3
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Merge pull request #4080 from rbberger/compute_reaxff_atom_overflow_fix
Fix buffer overflow in compute reaxff/atom
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2024-02-21 10:51:37 -05:00 |
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e143bbb4dd
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use a more "CMake" way to link to cuFFT with check in CMake config run
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2024-02-21 10:49:31 -05:00 |
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16b631858f
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fix typo
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2024-02-21 10:02:01 -05:00 |
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4c0952dc70
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Doc file updates, reverting h_rate initialization
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2024-02-20 21:02:55 -07:00 |
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e64f82a2bd
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Merge branch 'develop' into collected-small-fixes
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2024-02-20 20:45:15 -05:00 |
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08498637aa
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Merge pull request #4079 from stanmoore1/atom_map_host
Add Kokkos package option to build atom map in serial on CPU
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2024-02-20 20:35:34 -05:00 |
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ad9a107530
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Merge pull request #4084 from S-Lykles/create_atoms_template_fix
Create atoms template check
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2024-02-20 20:20:40 -05:00 |
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9cf4f688d9
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improve some explanations for KOKKOS package usage.
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2024-02-20 11:38:32 -05:00 |
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d38b3ffd82
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remove dead code
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2024-02-20 05:14:58 -05:00 |
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00c263cd7b
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Merge pull request #4085 from lammps/varbug
Fix a bug with removing variables when a vector variable is defined
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2024-02-20 05:00:45 -05:00 |
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62968ebcd4
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improve readability
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2024-02-19 23:17:37 -05:00 |
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46cacf089e
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whitespace
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2024-02-19 21:41:29 -05:00 |
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7a5fa7ca54
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not a bug but change variable evaluate local ivar to jvar to avoid code confusion
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2024-02-19 17:34:43 -07:00 |
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d70a98561f
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fix bug in removing a variable
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2024-02-19 17:33:51 -07:00 |
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c115cdb18d
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Move check to be with other checks
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2024-02-20 00:55:15 +01:00 |
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aafe28da4d
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change wording
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2024-02-19 23:41:12 +01:00 |
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6b6afe3034
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change error to be similar to fix pour and fix deposit
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2024-02-19 23:28:22 +01:00 |
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0fed131e52
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Update docs of create_atoms
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2024-02-19 22:39:28 +01:00 |
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1f0194a218
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Add template compatibility check to create_atoms mol
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2024-02-19 22:39:08 +01:00 |
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afc82b5fd6
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include versionadded tag for new keyword
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2024-02-19 13:52:35 -05:00 |
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ec0535172c
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whitespace
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2024-02-19 12:54:59 -05:00 |
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e299e4967d
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Merge pull request #4074 from bathmatt/bounds-mliap
fixed bounds of loops in ML-IAP
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2024-02-19 12:45:30 -05:00 |
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fb1e6610ed
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edits of doc page for clarity
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2024-02-19 10:36:15 -07:00 |
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49ece2af25
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Merge pull request #4082 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-02-19 12:12:42 -05:00 |
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1edec590bb
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Logs for eta mix example
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2024-02-19 15:01:51 +01:00 |
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