chemcoord.Zmat.read_zmat

classmethod Zmat.read_zmat(inputfile, implicit_index=True)

Reads a zmat file.

Lines beginning with # are ignored.

Parameters:

  • inputfile (str)

  • implicit_index (bool) – If this option is true the first column

  • atoms. (has to be the element symbols for the) – The row number is used to determine the index.

Return type:

Zmat