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44436c0eb6
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Cleaned up programming style
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2022-06-17 17:24:34 -06:00 |
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4de9ab85ce
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Completed inner cutoff, KOKKOS still in progress
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2022-04-21 17:30:12 -06:00 |
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88ac22cd62
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silence compiler warnings. avoid uninitialized access.
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2022-03-18 20:02:49 -04:00 |
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a96aef73d1
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Merge remote-tracking branch 'github/develop' into neigh-request-refactor
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2022-03-18 18:28:35 -04:00 |
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1d1dea56d8
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whitespace and programming style fixes
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2022-03-14 16:52:58 -04:00 |
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51034c00c0
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Completed documentation
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2022-03-11 20:40:18 -07:00 |
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f691805062
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More
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2022-03-11 16:41:22 -07:00 |
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5216a543ae
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More
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2022-03-11 15:43:48 -07:00 |
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4d13282120
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More
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2022-03-11 15:07:18 -07:00 |
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11d3b13e31
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Added a lot of boilerplate for inner data, not working yet
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2022-03-10 18:40:59 -07:00 |
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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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c725550fff
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Added in explicit reference column behaviour for bik rows
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2022-02-21 10:08:58 -08:00 |
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36edecd1e7
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Added in ability to keep bispectrum descriptors per atom instead of summed. (Useful for non linear models)
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2022-02-19 00:20:43 -08:00 |
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e482502691
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rename SNAP package to ML-SNAP and fix up some remaining MLIAP to ML-IAP issues
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2021-06-29 11:06:59 -04:00 |
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