Releases: stggh/PyDiatomic
Releases · stggh/PyDiatomic
updated from the initial release
PyDiatomic initial release
Initial release of PyDiatomic containing Python3.5 code to solve the time-independent Schroedinger equation for the nuclear motion of diatomic molecules, using the Johnson renormalized Numerov method. Also includes a basic rkr.py (Rydberg-Klein-Rees) potential energy curve method to generate potential energy curves from spectroscopic constants.