simple_angle_jacobian Subroutine

public pure subroutine simple_angle_jacobian(ca, cb, cc, thet, J_a, J_b, J_c)

Arguments

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

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

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

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

The angle (in rad) defined by ca-cb-cc
real(kind=rp), intent(out), dimension(3) :: J_a

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

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

The Jacobian components on atoms a, b and c respectively

Called by

proc~~simple_angle_jacobian~~CalledByGraph proc~simple_angle_jacobian simple_angle_jacobian proc~angle_geomgrad angle_geomgrad proc~angle_geomgrad->proc~simple_angle_jacobian proc~inplane_angle_jacobian inplane_angle_jacobian proc~angle_geomgrad->proc~inplane_angle_jacobian proc~inplane_angle_jacobian->proc~simple_angle_jacobian proc~angtor_geomgrad angtor_geomgrad proc~angtor_geomgrad->proc~simple_angle_jacobian proc~strbnd_geomgrad strbnd_geomgrad proc~strbnd_geomgrad->proc~simple_angle_jacobian proc~link_atom_angle_geomgrad link_atom_angle_geomgrad proc~link_atom_angle_geomgrad->proc~angle_geomgrad proc~ommp_angle_geomgrad ommp_angle_geomgrad proc~ommp_angle_geomgrad->proc~angle_geomgrad proc~ommp_angle_geomgrad->proc~link_atom_angle_geomgrad proc~ommp_full_bnd_geomgrad ommp_full_bnd_geomgrad proc~ommp_full_bnd_geomgrad->proc~angle_geomgrad proc~ommp_full_bnd_geomgrad->proc~angtor_geomgrad proc~ommp_full_bnd_geomgrad->proc~strbnd_geomgrad proc~ommp_full_bnd_geomgrad->proc~link_atom_angle_geomgrad proc~ommp_angtor_geomgrad ommp_angtor_geomgrad proc~ommp_angtor_geomgrad->proc~angtor_geomgrad proc~ommp_strbnd_geomgrad ommp_strbnd_geomgrad proc~ommp_strbnd_geomgrad->proc~strbnd_geomgrad proc~qm_helper_link_atom_geomgrad qm_helper_link_atom_geomgrad proc~qm_helper_link_atom_geomgrad->proc~link_atom_angle_geomgrad proc~c_ommp_angtor_geomgrad C_ommp_angtor_geomgrad proc~c_ommp_angtor_geomgrad->proc~ommp_angtor_geomgrad proc~c_ommp_full_bnd_geomgrad C_ommp_full_bnd_geomgrad proc~c_ommp_full_bnd_geomgrad->proc~ommp_full_bnd_geomgrad proc~c_ommp_angle_geomgrad C_ommp_angle_geomgrad proc~c_ommp_angle_geomgrad->proc~ommp_angle_geomgrad proc~ommp_full_geomgrad ommp_full_geomgrad proc~ommp_full_geomgrad->proc~ommp_full_bnd_geomgrad proc~c_ommp_strbnd_geomgrad C_ommp_strbnd_geomgrad proc~c_ommp_strbnd_geomgrad->proc~ommp_strbnd_geomgrad proc~ommp_qm_helper_link_atom_geomgrad ommp_qm_helper_link_atom_geomgrad proc~ommp_qm_helper_link_atom_geomgrad->proc~qm_helper_link_atom_geomgrad proc~c_ommp_full_geomgrad C_ommp_full_geomgrad proc~c_ommp_full_geomgrad->proc~ommp_full_geomgrad proc~c_ommp_qm_helper_link_atom_geomgrad C_ommp_qm_helper_link_atom_geomgrad proc~c_ommp_qm_helper_link_atom_geomgrad->proc~ommp_qm_helper_link_atom_geomgrad

Contents