Cartesian coordinatesΒΆ

Cartesian(init) The main class for dealing with cartesian Coordinates.
read_xyz(inputfile[, pythonic_index, get_bonds]) Reads a xyz file.
read_molden(inputfile[, pythonic_index, ...]) Reads a molden file.
write_molden(cartesian_list, outputfile) Writes a list of Cartesians into a molden file.