Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "quasi-harmonic-approximation" keyword
aarontools 1.0b19
Tools for measuring and manipulating molecular structures19 versions - Latest release: about 1 year ago - 1 dependent repositories - 262 downloads last month - 36 stars on GitHub - 1 maintainer
qha 1.0.22
A powerful tool for quasi-harmonic approximation13 versions - Latest release: over 1 year ago - 1 dependent package - 1 dependent repositories - 143 downloads last month - 27 stars on GitHub - 1 maintainer
Related Keywords
computational
1
chemistry
1
utility
1
catalysis
1
compchem
1
computational-chemistry
1
density-functional-theory
1
dft
1
dft-calculations
1
gaussian
1
ir-spectra
1
orca-quantum-chemistry
1
psi4
1
python
1
quantum-chemistry
1
quantum-chemistry-automation
1
rrho
1
steric-parameters
1
sterimol-parameters
1
thermochemistry
1
vibrational-entropies
1
thermodynamic-properties
1
scientific-computation
1
ab-initio
1
phonon
1
python3
1
scientific-computing
1