Computes the value of the pseudo-core charge at r @param ps is a handle to the psml information @param r is the radius It returns the pseudo-core charge density integrated over solid angle, so that Q_core = int{ valrr }
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(ps_t), | intent(in) | :: | ps | |||
real(kind=dp), | intent(in) | :: | r |
function ps_CoreCharge_Value(ps,r) result(val)
type(ps_t), intent(in) :: ps
real(dp), intent(in) :: r
real(dp) :: val
val = ps_GetValue(ps%core_charge%rho_core,r)
end function ps_CoreCharge_Value