cfel-cmi / cmistark Goto Github PK

There seems to be a problem I keep running into where code I have written such as a new molecule in moleculeparameters.py or a new conversion in convert.py does not seem to be recognized as actually being there. I have tried adding the relevant code blocks to both file locations and am hit with either a "NameError: name 'molecule name' is not defined" and a reference to the line in cmistark_calculate_energy where the function is being called, or "option --moleculename is not recognized" when attempting to call a new molecule or a "'cmistark.convert' has no attribute 'conversion name'" despite the name being defined / conversion being implemented.