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pypi.org "reaction-coordinate" keyword

pyqrc 2.4.0
A Python program to project computed structures along normal modes for Quick Reaction Coordinate ...
4 versions - Latest release: about 1 month ago - 1 dependent repositories - 60 downloads last month - 45 stars on GitHub - 1 maintainer
Related Keywords
computational-chemistry 1 thermochemistry 1 gaussian 1 orca 1 qchem 1 imaginary-frequencies 1 intrinsic-reaction-coordinate 1 normal-modes 1 transition-state 1 frequency-calculation 1 irc 1 qrc 1 transition-structure 1