Calculates the force & energy due to a dihedral.
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
real(kind=rp), | intent(in), | dimension(3) | :: | q1 | ||
real(kind=rp), | intent(in), | dimension(3) | :: | q2 | ||
real(kind=rp), | intent(in), | dimension(3) | :: | q3 | ||
integer, | intent(in) | :: | sty | |||
real(kind=rp), | intent(in), | dimension(:) | :: | params | ||
real(kind=rp), | intent(out) | :: | enrg | |||
real(kind=rp), | intent(out), | dimension(3) | :: | fi | ||
real(kind=rp), | intent(out), | dimension(3) | :: | fj | ||
real(kind=rp), | intent(out), | dimension(3) | :: | fk | ||
real(kind=rp), | intent(out), | dimension(3) | :: | fl |