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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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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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6c08503dff
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Created MLIAP class for data, passes all tests
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2020-07-10 16:25:28 -06:00 |
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f360cca1a3
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Created MLIAP class for data
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2020-07-10 16:04:04 -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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759797733d
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Generalized the variable and function names
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2020-07-05 18:58:32 -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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bc36511767
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Correctly reproduced examples/in.snap.compute, not yet for quadratic case
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2020-07-02 14:32:47 -06:00 |
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2a4e51fa38
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Fixed a few problems, still not quite matching compute snap
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2020-07-01 17:11:02 -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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73ed317254
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Added compute_mliap.cpp/h to MLIAP package
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2020-06-22 11:38:02 -06:00 |
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18597a6389
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Removed computes
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2020-06-22 10:00:19 -06:00 |
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19f1d0445d
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Added THIS IS NOT RIGHT note
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2020-04-08 10:32:27 -06:00 |
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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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