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259bcfba1f
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remove one more unused class member
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2024-02-29 22:45:32 -05:00 |
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b15956c13c
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remove unused class members
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2024-02-29 22:26:40 -05:00 |
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a261a6c34c
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whitespace fixes
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2024-02-28 17:45:41 -05:00 |
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1bba2c9e06
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third and final round of include-what-you-use updates
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2024-02-28 17:40:17 -05:00 |
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0d37dddc9e
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restore correct formatting to meam_force.cpp and port changes to KOKKOS
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2024-02-28 17:19:52 -05:00 |
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37c0795691
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Fixed additional errors with multicomponent systems, making msmeamflag independent of ialloy
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2024-02-28 17:02:09 -05:00 |
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0ce25755cd
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second round of include-what-you-use updates
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2024-02-28 15:37:13 -05:00 |
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1359c52f30
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include-what-you-use updates
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2024-02-27 23:42:24 -05:00 |
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5967865af9
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remove unused class member
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2024-02-27 22:42:13 -05:00 |
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73e42481f7
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modernize and consolidate ML compute styles
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2024-02-27 20:55:52 -05:00 |
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eb9b1e163d
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modernize and coding style/formatting improvements
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2024-02-27 20:55:28 -05:00 |
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1baa6cc166
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remove dead code from fix bocs
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2024-02-27 10:29:35 -05:00 |
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0096c06def
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Merge branch 'develop' into collected-small-changes
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2024-02-26 20:02:29 -05:00 |
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4d89741d8c
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Merge pull request #4091 from jtclemm/BPM
Small fixes to GRANULAR/BPM packages
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2024-02-26 20:01:57 -05:00 |
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bd9f6993e3
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whitespace
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2024-02-26 17:14:44 -05:00 |
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3d55fc4ec2
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Merge branch 'develop' into collected-small-changes
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2024-02-26 17:14:18 -05:00 |
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e9deaa83d1
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Merge pull request #4088 from sakibmatin/debug
Fix for force calculation and memory bug (atom name definition) in mliap.
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2024-02-26 16:46:36 -05:00 |
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719b7a96f1
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silence compiler warnings
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2024-02-26 16:45:01 -05:00 |
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73ae3200d0
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incorporating feedback
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2024-02-26 12:09:19 -07:00 |
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35db949e77
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Merge pull request #4069 from vladgl/fix_wall_flow
New fix implementing flow boundary conditions
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2024-02-26 12:46:20 -05:00 |
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8501c3de6c
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Merge pull request #4087 from akohlmey/add-rebomos-pair-style
Add rebomos pair style with examples and unit test
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2024-02-26 11:38:10 -05:00 |
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f532a513da
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only import used constant
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2024-02-26 07:58:53 -05:00 |
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2bc5a04214
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fix conversion bug when input is in radians
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2024-02-26 07:54:25 -05:00 |
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aaba736967
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Fixed error in forces that only affects non-zero t1m MS-MEAM models
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2024-02-24 17:03:06 -05:00 |
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d39158ca08
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modernize
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2024-02-24 03:38:48 -05:00 |
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04bccd0a9f
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whitespace
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2024-02-23 19:08:46 -05:00 |
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b7153eebee
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simplify and check for triclinic again, since somebody may have used change_box
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2024-02-23 19:04:14 -05:00 |
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c401dc31d6
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bump maxelt to 8 (for folks simulating high-entropy alloys) and make it uppercase
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2024-02-23 17:05:20 -05:00 |
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6ea1bcf9d9
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Clarifying trace notation in fabric
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2024-02-23 14:45:21 -07:00 |
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74abb18e69
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improve error messages for pair style airebo and variants
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2024-02-23 16:44:15 -05:00 |
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dd4cd240df
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Moving temp/heat keywords out of dump to compute prop/atom
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2024-02-23 14:31:40 -07:00 |
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3e089496b3
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modernize and address issues flagged by static code analysis
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2024-02-23 15:52:54 -05:00 |
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fef2150bfb
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Fixing rare precision error in Tsuji damping
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2024-02-23 13:29:18 -07:00 |
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f864963ab9
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removed old comments.
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2024-02-22 22:03:29 -07:00 |
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b016eaa1cf
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cosmetic
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2024-02-22 15:20:51 -05:00 |
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49886caaf1
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add OPENMP package version of pair style rebomos
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2024-02-22 15:17:46 -05:00 |
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3e512834c7
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cosmetic
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2024-02-22 14:09:50 -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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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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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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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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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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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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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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