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4a993483fc
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remove dead code
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2024-03-03 11:25:01 -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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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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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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e7ea5e8bf5
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enable and (mostly) apply clang-format
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2023-01-26 22:02:12 -05:00 |
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d88a4a768d
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Style changes
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2023-01-25 14:52:02 -07:00 |
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91ef7c22fa
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reindent
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2023-01-25 15:29:13 -05:00 |
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16354d0262
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fix out-of-bounds access
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2023-01-25 15:28:22 -05:00 |
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8f554a3b1c
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Clean up
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2023-01-24 12:30:18 -07:00 |
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533af97d8e
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Format and clean Kokkos MEAM
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2023-01-24 11:02:14 -07:00 |
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f98a2357fd
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Merge remote-tracking branch 'upstream/develop' into msmeam-adr
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2023-01-17 21:18:58 -07:00 |
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d14f070bef
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Fix segfault with normal meam
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2023-01-17 20:46:54 -07:00 |
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665b877063
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Update msmeam example and clean up code
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2023-01-16 07:37:32 -07:00 |
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03838f06f8
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Zero arrays in dens setup to prevent forces from growing each timestep
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2023-01-12 19:28:10 -07:00 |
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5a8d191a4a
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Correct force rho and arho parameters; need to fix get_densref function
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2023-01-12 09:26:19 -07:00 |
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d5e29864ab
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Allocate meam arrays and fully implement force calculation
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2023-01-10 15:14:14 -07:00 |
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b419a98f0f
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Identify segfault with arho params
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2023-01-06 15:49:09 -07:00 |
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80ea94ae24
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Envelope msmeam calculations in conditional
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2023-01-06 11:10:52 -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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a6bfcf838a
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First attempt
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2022-07-08 15:43:06 -06:00 |
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90e0de8dca
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update MEAM package to correctly handle pair_modify nofdotr
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2021-07-11 16:32:46 -04:00 |
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dc3efd17d2
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rename USER-MEAMC to MEAM and pair style meam/c to meam (keeping meam/c as an alias)
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2021-06-29 16:59:05 -04:00 |
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