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