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bdca275f10
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correct indexing when filling lmp_firstneigh array
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2024-09-14 02:25:03 -04:00 |
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7d94880ecd
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silence compiler warnings and apply clang-format
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2024-03-22 22:57:44 -04:00 |
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e5fbd15b9d
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ACE mliap examples and virial support
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2024-02-14 15:06:01 -07:00 |
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68f770dee9
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ACE mliap initial commit
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2024-01-16 11:31:53 -07:00 |
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d93d4f8b5c
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normal complete, kokkos in development
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2023-10-19 17:32:21 -06:00 |
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bcc93c2dc5
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Initial working Null atom fix
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2023-10-19 00:19:02 -06:00 |
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e188407566
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Cleaned fix
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2023-10-18 23:17:25 -06:00 |
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0f10269357
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cleaning
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2023-10-17 23:45:52 -06:00 |
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87fdff5874
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No variable transfer
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2023-10-17 23:41:52 -06:00 |
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d5ba6f70f2
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enable and apply clang-format
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2023-02-20 12:48:39 -05:00 |
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af4c45a52b
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Confirm computes still work and use gradgradflag = -1 for pair style
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2023-02-16 15:43:44 -07:00 |
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621283bb78
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Enclose gradforce loops in gradgradflag conditional
Co-authored-by: Nicholas Lubbers <nlubbers@lanl.gov>
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2023-02-16 12:16:53 -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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36d22b9d00
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silence compiler warnings
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2022-09-27 13:20:25 -04:00 |
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8ad478697e
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Remove trailing whitespace
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2022-09-23 17:20:27 -06:00 |
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d6c1517f0e
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Implement cutghost for ghostneighs
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2022-06-20 10:05:12 -06:00 |
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081aa2629f
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Minor changes
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2022-06-09 00:50:03 -06:00 |
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7aec2e10bf
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Remove nlistghosts, store inum+gnum in natomneigh
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2022-06-07 16:18:27 -06:00 |
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c07d61d392
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Progress towards supporting ghosts in neighbor list
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2022-06-07 02:16:06 -06:00 |
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ebbace403a
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Initial commit of mliap unified work
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2022-04-15 14:22:46 -06:00 |
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eda2cd965e
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rename MLIAP package to ML-IAP
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2021-06-29 10:44:32 -04:00 |
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