Quadratinc mixing rule for the repulsive parameter.
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
class(HV), | intent(in) | :: | self | |||
real(kind=pr), | intent(in) | :: | n(:) | |||
real(kind=pr), | intent(in) | :: | bi(:) | |||
real(kind=pr), | intent(out) | :: | B | |||
real(kind=pr), | intent(out) | :: | dBi(:) | |||
real(kind=pr), | intent(out) | :: | dBij(:,:) |