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15026cfa56
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cosmetic
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2025-03-24 22:59:05 -04:00 |
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635f6000eb
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improve error messages, especiall for compile time selected options
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2024-08-16 12:49:04 -04:00 |
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176414b8e7
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kokkos error and standard make
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2024-03-22 16:33:49 -06:00 |
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af5c8bcd22
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Merge branch 'develop' into pace-mliap
# Conflicts:
# src/ML-IAP/compute_mliap.cpp
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2024-03-12 09:05:46 -04:00 |
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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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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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e94d89ee3c
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added mliap_enable_ace to opt in/out of ace functionality in mliap
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2024-02-14 17:02:07 -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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c7eaee117e
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eliminate gradgradflag class member and use flag from data class instead
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2023-02-20 12:48:03 -05:00 |
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b0accb4ebf
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replace atoi() with suitable utility functions
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2022-12-09 16:56:17 -05:00 |
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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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371141f915
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adding support for compute_mliap so3
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2022-05-12 14:12:57 +02:00 |
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e8547af049
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update neighbor list requests and compute style lookups in machine learning packages
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2022-03-09 06:49:07 -05:00 |
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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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