pmutt.io.gaussian.read_molecular_mass

pmutt.io.gaussian.read_molecular_mass(filename, units='g/mol')

Reads the molecular mass from the Gaussian log file.

Parameters:

filename (str) – Log file
units (str, optional) – Units for molecular mass. Default is ‘g/mol’

Returns:

molecular_mass – Molecular mass in units. Default is ‘g/mol’

Return type: