!! 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 |