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. |