This module is for writing out molden files written by Ludger Inhester in 2021 at DESY CFEL
!! This routine writes a molden file containing the basis set definition and the linear combination of orbitals !!
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(param), | intent(in) | :: | p | |||
| type(atom_set), | intent(in) | :: | a(:) | |||
| type(basis), | intent(in) | :: | b | |||
| type(wf_data), | intent(in) | :: | f | |||
| character(len=*), | intent(in) | :: | filename | |||
| logical, | intent(in), | optional | :: | cartesian |