print spherically averaged quantity (potential or density) for each atom with and without multicenter decomposition
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(atom_set), | intent(in) | :: | a(:) | |||
type(grid3d), | intent(in) | :: | g | |||
real(kind=long), | intent(in) | :: | v(:) | |||
integer, | intent(in) | :: | output |