GitHub / QChASM / AaronTools.py
Python tools for automating routine tasks encountered when running quantum chemistry computations.
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Stars: 48
Forks: 8
Open issues: 10
License: gpl-3.0
Language: Python
Size: 7.94 MB
Dependencies parsed at: Pending
Created at: almost 6 years ago
Updated at: 5 days ago
Pushed at: 5 days ago
Last synced at: 5 days ago
Commit Stats
Commits: 708
Authors: 9
Mean commits per author: 78.67
Development Distribution Score: 0.39
More commit stats: https://commits.ecosyste.ms/hosts/GitHub/repositories/QChASM/AaronTools.py
Topics: catalysis, compchem, computational-chemistry, density-functional-theory, dft, dft-calculations, gaussian, ir-spectra, orca-quantum-chemistry, psi4, python, quantum-chemistry, quantum-chemistry-automation, quasi-harmonic-approximation, rrho, steric-parameters, sterimol-parameters, thermochemistry, vibrational-entropies