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GitHub / QuantumDynamicsLab / PES2MP
PES2MP: Get radial coefficients from PES via multipole expansion
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/QuantumDynamicsLab%2FPES2MP
Stars: 0
Forks: 0
Open Issues: 0
License: mit
Language: Jupyter Notebook
Repo Size: 4.04 MB
Dependencies: pending
Created: 10 months ago
Updated: 9 months ago
Last pushed: 9 months ago
Last synced: 9 months ago
Topics: astrochemistry, chemical-physics, collision, computational-chemistry, curve-fitting, legendre-polynomials, molscat, multipole, multipole-expansion, potential-energy-surface, scattering, spherical-harmonics, supervised-machine-learning, theoretical-chemistry