loewdin population analysis
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(atom_set), | intent(in) | :: | a(:) | |||
type(basis), | intent(in) | :: | b | |||
type(wf_data), | intent(in) | :: | f | |||
integer, | intent(in) | :: | output | |||
real(kind=long), | optional | :: | d_given(b%n_basis,b%n_basis) |