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025b18999a
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Cleaned up the MLIAPData variable names
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2021-03-08 13:31:24 -07:00 |
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59eaa46f8d
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Tweaked README.md and changed permissions on source
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2021-03-01 17:41:02 -07:00 |
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9713c11d6c
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Original MLIAP
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2021-02-16 12:27:12 -03:00 |
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382ade15fe
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more consistent formatting of for/while loops and if statements
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2020-12-30 09:09:08 -05:00 |
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36a5e9d20e
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Added some author credits
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2020-12-03 19:36:52 -07:00 |
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7c1634e57f
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Squashed commit for MLIAPPY package
Includes CMAKE install, doc updates, example files.
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2020-11-06 13:12:59 -07:00 |
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280e98b074
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Added explicit energy updates
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2020-11-03 20:26:34 -07:00 |
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adf74b3a22
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use https://lammps.sandia.gov based URLs consistently
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2020-10-21 16:45:30 -04:00 |
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fb7923df06
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dead code removal
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2020-07-16 21:14:22 -04:00 |
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e98056c0e8
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whitespace fixes
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2020-07-16 19:03:30 -04:00 |
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52715cc804
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Merge branch 'master' into compute-mliap
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2020-07-16 18:35:49 -04:00 |
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095c6a9850
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Finished cleaning up and testing. MLIAPData class is now fully integrated with ComputeMLIAP and PairMLIAP
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2020-07-11 19:01:16 -06:00 |
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0d570f5577
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Removed a lot of LAMMPS dependence from Descriptor and Model classes
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2020-07-09 19:22:41 -06:00 |
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06a199f7d0
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Added gradgradflag option to compute mliap
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2020-07-07 20:28:18 -06:00 |
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e459ee8a58
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whitespace fixes
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2020-07-07 20:25:59 -04:00 |
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c3f8644613
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Merge branch 'master' into compute-mliap
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2020-07-03 14:26:38 -06:00 |
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07afe1c66d
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Added basic element map
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2020-07-02 16:14:15 -06:00 |
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aee3d9f2cd
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Generated working example, not quite correct
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2020-07-01 15:03:45 -06:00 |
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9c7005a91c
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It compiles, but not yet working
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2020-06-30 19:14:01 -06:00 |
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6af407d01e
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remove trailing whitespace
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2020-06-30 17:48:18 -04:00 |
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0443ac2dd4
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Created class ComputeSNAP, not completely finished, but compiles
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2020-04-07 20:51:39 -06:00 |
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46ee159f14
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Added custom tally functions
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2020-04-06 17:05:43 -06:00 |
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b5dfdc4fa4
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Separated out class hierarchy
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2020-04-05 00:17:31 -06:00 |
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