calorine 2.3.1
calorine is a Python package for running and analyzing molecular dynamics (MD) simulations via GPUMD.
It also provides functionality for constructing and sampling neuroevolution potential (NEP) models via GPUMD.
The full documentation can be found at https://calorine.materialsmodeling.org/.
For personal and professional use. You cannot resell or redistribute these repositories in their original state.
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