Open Issues Need Help
View All on GitHub Expand geometry tests with edge-case molecules about 3 hours ago
enhancement good first issue
openWFN — open WaveFunction Network — is an open-source, lightweight post-processing toolkit for quantum chemistry wavefunction files, focused on molecular geometry analysis.
Python
Add a small example gallery with expected CLI output about 3 hours ago
documentation good first issue
openWFN — open WaveFunction Network — is an open-source, lightweight post-processing toolkit for quantum chemistry wavefunction files, focused on molecular geometry analysis.
Python