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1a0095e51b
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Use utils::logmesg() and fmt::format()
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2020-06-23 08:32:17 -04:00 |
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a0fdb6af47
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silence compiler warning
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2020-06-22 22:34:08 -04:00 |
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549c6343f3
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Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
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2020-06-21 18:05:34 -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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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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3329caa7f1
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First pass at general ML pair style
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2020-04-01 18:07:33 -06:00 |
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3dd9ad488f
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Turned on MLIAPModelSNAP
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2020-03-31 21:58:43 -06:00 |
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