ia_get_dihedral_force Subroutine

public subroutine ia_get_dihedral_force(q1, q2, q3, sty, params, enrg, fi, fj, fk, fl)

Calculates the force & energy due to a dihedral.

Arguments

Type IntentOptional AttributesName
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

Called by

proc~~ia_get_dihedral_force~~CalledByGraph proc~ia_get_dihedral_force ia_get_dihedral_force proc~ia_add_dihedral_forces ia_add_dihedral_forces proc~ia_add_dihedral_forces->proc~ia_get_dihedral_force

Contents

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