ICODE-ADC/lammps
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3 Commits

Author SHA1 Message Date
Axel Kohlmeyer
4c403e5b71 close and finalize LAMMPS instance in MLIAP example python scripts 2023-04-06 12:58:30 -04:00
Holger Badorreck
64d5317d19 hint to generate needed file for mliap pytorch example 2023-02-28 10:07:46 +01:00
Matt Bettencourt
d47acfc0c4 Have PyTorch interface for MLIAP working in Kokkos. This uses cuPy and a simple example is provided 2022-12-28 07:01:47 +01:00