opb_angle_jacobian Subroutine

public subroutine opb_angle_jacobian(ca, cb, cc, cd, thet, J_a, J_b, J_c, J_d)

Uses

  • proc~~opb_angle_jacobian~~UsesGraph proc~opb_angle_jacobian opb_angle_jacobian module~mod_constants mod_constants proc~opb_angle_jacobian->module~mod_constants module~mod_utils mod_utils proc~opb_angle_jacobian->module~mod_utils iso_c_binding iso_c_binding module~mod_constants->iso_c_binding module~mod_utils->module~mod_constants module~mod_memory mod_memory module~mod_utils->module~mod_memory module~mod_memory->module~mod_constants module~mod_memory->iso_c_binding module~mod_io mod_io module~mod_memory->module~mod_io module~mod_io->module~mod_constants

Arguments

Type IntentOptional Attributes Name
real(kind=rp), intent(inout), dimension(3) :: ca

Coordinates of the atoms defining the angle
real(kind=rp), intent(inout), dimension(3) :: cb

Coordinates of the atoms defining the angle
real(kind=rp), intent(inout), dimension(3) :: cc

Coordinates of the atoms defining the angle
real(kind=rp), intent(inout), dimension(3) :: cd

Coordinates of the atoms defining the angle
real(kind=rp), intent(out) :: thet

The out-of-plane angle
real(kind=rp), intent(out), dimension(3) :: J_a

The Jacobian components on atoms a, b and c and d respectively
real(kind=rp), intent(out), dimension(3) :: J_b

The Jacobian components on atoms a, b and c and d respectively
real(kind=rp), intent(out), dimension(3) :: J_c

The Jacobian components on atoms a, b and c and d respectively
real(kind=rp), intent(out), dimension(3) :: J_d

The Jacobian components on atoms a, b and c and d respectively

Calls

proc~~opb_angle_jacobian~~CallsGraph proc~opb_angle_jacobian opb_angle_jacobian proc~cross_product cross_product proc~opb_angle_jacobian->proc~cross_product proc~versor_der versor_der proc~opb_angle_jacobian->proc~versor_der proc~vec_skw vec_skw proc~opb_angle_jacobian->proc~vec_skw

Called by

proc~~opb_angle_jacobian~~CalledByGraph proc~opb_angle_jacobian opb_angle_jacobian proc~opb_geomgrad opb_geomgrad proc~opb_geomgrad->proc~opb_angle_jacobian proc~ommp_opb_geomgrad ommp_opb_geomgrad proc~ommp_opb_geomgrad->proc~opb_geomgrad proc~ommp_full_bnd_geomgrad ommp_full_bnd_geomgrad proc~ommp_full_bnd_geomgrad->proc~opb_geomgrad proc~c_ommp_opb_geomgrad C_ommp_opb_geomgrad proc~c_ommp_opb_geomgrad->proc~ommp_opb_geomgrad proc~c_ommp_full_bnd_geomgrad C_ommp_full_bnd_geomgrad proc~c_ommp_full_bnd_geomgrad->proc~ommp_full_bnd_geomgrad proc~ommp_full_geomgrad ommp_full_geomgrad proc~ommp_full_geomgrad->proc~ommp_full_bnd_geomgrad proc~c_ommp_full_geomgrad C_ommp_full_geomgrad proc~c_ommp_full_geomgrad->proc~ommp_full_geomgrad proc~ommptest_fakeqm_internal_geomgrad ommptest_fakeqm_internal_geomgrad proc~ommptest_fakeqm_internal_geomgrad->proc~ommp_full_geomgrad proc~ommptest_totalqmmm_geomgrad ommptest_totalqmmm_geomgrad proc~ommptest_totalqmmm_geomgrad->proc~ommp_full_geomgrad proc~ommptest_fakeqm_linkatom_geomgrad ommptest_fakeqm_linkatom_geomgrad proc~ommptest_fakeqm_linkatom_geomgrad->proc~ommp_full_geomgrad

Contents