molecular-physics
There are 4 repositories under molecular-physics topic.
hauser-group/pyQChem
A Python module for scripting with Q-Chem
nikolavitas/idl
My IDL libraries covering various topics related to spectroscopy, radiative transfer, theory of stellar atmospheres and numerical methods in general.
harry-brough/TUNA
A user-friendly quantum chemistry program for diatomics.
humberto-jr/humberto-jr.github.io
Personal blog.