torq_expectationvalue Subroutine

public subroutine torq_expectationvalue(inc, nstates, torq, rveig_atom, Torq_tot, Torq_atom)

Uses

Arguments

Type IntentOptional Attributes Name
type(inc_TYPE), intent(in) :: inc
integer, intent(in) :: nstates
double complex, intent(in) :: torq(inc%lmmaxso,inc%lmmaxso,inc%natypd,3)
double complex, intent(in) :: rveig_atom(inc%lmmaxso,inc%natypd,nstates)
double complex, intent(out) :: Torq_tot(3,nstates)
double complex, intent(out), optional :: Torq_atom(3,inc%natypd,nstates)