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21,620 Commits 12 Branches 209 Tags
1a0095e51bcaa2d0189d28827efdc5e83472cae5
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8 Commits

Author SHA1 Message Date
Richard Berger
1a0095e51b Use utils::logmesg() and fmt::format() 2020-06-23 08:32:17 -04:00
Axel Kohlmeyer
a0fdb6af47 silence compiler warning 2020-06-22 22:34:08 -04:00
Aidan Thompson
549c6343f3 Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples 2020-06-21 18:05:34 -06:00
Aidan Thompson
0443ac2dd4 Created class ComputeSNAP, not completely finished, but compiles 2020-04-07 20:51:39 -06:00
Aidan Thompson
46ee159f14 Added custom tally functions 2020-04-06 17:05:43 -06:00
Aidan Thompson
b5dfdc4fa4 Separated out class hierarchy 2020-04-05 00:17:31 -06:00
Aidan Thompson
3329caa7f1 First pass at general ML pair style 2020-04-01 18:07:33 -06:00
Aidan Thompson
3dd9ad488f Turned on MLIAPModelSNAP 2020-03-31 21:58:43 -06:00
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