A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
GNU Lesser General Public License v3.0
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ENH: Add a timestep parameter to `MultiMolecule.init_power_spectrum` #244
Closed
BvB93 closed 3 years ago
Closed by https://github.com/nlesc-nano/auto-FOX/pull/245.