pypi.org "gamess" keyword
openwfn 0.11.0
Reproducible wavefunction post-processing with CLI, Python API, validation, and research exports19 versions - Latest release: about 1 month ago - 1.69 thousand downloads last month - 1 stars on GitHub - 1 maintainer
Related Keywords
computational chemistry
1
gaussian
1
geometry
1
molecular modeling
1
quantum chemistry
1
wavefunction
1
automation
1
chemistry
1
computational-chemistry
1
cp2k
1
electronic-structure
1
interoperability
1
molden
1
orca
1
python
1
qchem
1
qcschema
1
quantum-chemistry
1
reproducible-research
1
scientific-computing
1
wavefunction-analysis
1
wfn
1
wfx
1