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pypi.org "orbitals" keyword

mopac-step 2026.11.5
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC
83 versions - Latest release: 1 day ago - 1 dependent repositories - 909 downloads last month - 1 maintainer
pwfn 0.1.1
pwfn is a single-page library to parse .wfn file
2 versions - Latest release: over 5 years ago - 1 dependent repositories - 21 downloads last month - 1 stars on GitHub - 1 maintainer
Related Keywords
SEAMM 1 plug-in 1 flowchart 1 forcefield 1 MOPAC 1 semiempirical 1 chemistry 1 wfn 1 aimpac 1 qtaim 1 electronic 1