pyqmmm.qm.eda_analyze

Module Contents

Functions

extract_energies(file_path)

format_plot(→ None)

General plotting parameters for the Kulik Lab.

main()

Attributes

kj_to_kcal

pyqmmm.qm.eda_analyze.kj_to_kcal = 0.239006
pyqmmm.qm.eda_analyze.extract_energies(file_path)[source]
pyqmmm.qm.eda_analyze.format_plot() → None[source]

General plotting parameters for the Kulik Lab.

pyqmmm.qm.eda_analyze.main()[source]