search

jam31118 / rigged-qprop

qprop equipped with small toolset
4 stars 2 forks source link

Implement calculating energy for the given state function file #51

Open jam31118 opened 6 years ago

jam31118 commented 6 years ago

Implement calculating energy for the given state function file. Make it as a single source file with a main function. Make a python wrapper for it so that it can be called and used during visualization or analysis using Python.