versor_der Function

public pure function versor_der(a) result(g)

Uses

  • proc~~versor_der~~UsesGraph proc~versor_der versor_der module~mod_memory mod_memory proc~versor_der->module~mod_memory module~mod_io mod_io module~mod_memory->module~mod_io iso_c_binding iso_c_binding module~mod_memory->iso_c_binding module~mod_constants mod_constants module~mod_memory->module~mod_constants module~mod_io->module~mod_constants module~mod_constants->iso_c_binding

Computes the derivativative matrix of a versor wrt its generator vector . [\frac{\partial \hat{A}}{\partial \vec{A}} = \frac{1}{||\vec{A}||^3} (||\vec{A}||^2 \mathbb{1}_3 - A^\dagger A) = \frac{1}{||\vec{A}||^3} \begin{bmatrix} ||\vec{A}||^2 - \vec{A}_x^2 & - \vec{A}_x \vec{A}_y & - \vec{A}_x \vec{A}_z \ !! - \vec{A}_y \vec{A}_x & 

     ||\vec{A}||^2 - \vec{A}_y^2 & 
     - \vec{A}_y \vec{A}_z \        !!          - \vec{A}_z \vec{A}_x &

     - \vec{A}_z \vec{A}_y & 
     ||\vec{A}||^2 - \vec{A}_z^2 \        !!      \end{bmatrix}

]

Arguments

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

Return Value real(kind=rp), dimension(3,3)


Called by

proc~~versor_der~~CalledByGraph proc~versor_der versor_der proc~inplane_angle_jacobian inplane_angle_jacobian proc~inplane_angle_jacobian->proc~versor_der proc~opb_angle_jacobian opb_angle_jacobian proc~opb_angle_jacobian->proc~versor_der proc~torsion_angle_jacobian torsion_angle_jacobian proc~torsion_angle_jacobian->proc~versor_der proc~pitors_angle_jacobian pitors_angle_jacobian proc~pitors_angle_jacobian->proc~versor_der proc~link_atom_project_grd link_atom_project_grd proc~link_atom_project_grd->proc~versor_der proc~angle_geomgrad angle_geomgrad proc~angle_geomgrad->proc~inplane_angle_jacobian proc~opb_geomgrad opb_geomgrad proc~opb_geomgrad->proc~opb_angle_jacobian proc~tortor_geomgrad tortor_geomgrad proc~tortor_geomgrad->proc~torsion_angle_jacobian proc~strtor_geomgrad strtor_geomgrad proc~strtor_geomgrad->proc~torsion_angle_jacobian proc~torsion_geomgrad torsion_geomgrad proc~torsion_geomgrad->proc~torsion_angle_jacobian proc~angtor_geomgrad angtor_geomgrad proc~angtor_geomgrad->proc~torsion_angle_jacobian proc~imptorsion_geomgrad imptorsion_geomgrad proc~imptorsion_geomgrad->proc~torsion_angle_jacobian proc~pitors_geomgrad pitors_geomgrad proc~pitors_geomgrad->proc~pitors_angle_jacobian proc~qm_helper_link_atom_geomgrad qm_helper_link_atom_geomgrad proc~qm_helper_link_atom_geomgrad->proc~link_atom_project_grd proc~link_atom_angle_geomgrad link_atom_angle_geomgrad proc~qm_helper_link_atom_geomgrad->proc~link_atom_angle_geomgrad proc~link_atom_torsion_geomgrad link_atom_torsion_geomgrad proc~qm_helper_link_atom_geomgrad->proc~link_atom_torsion_geomgrad proc~ommp_pitors_geomgrad ommp_pitors_geomgrad proc~ommp_pitors_geomgrad->proc~pitors_geomgrad proc~link_atom_angle_geomgrad->proc~angle_geomgrad proc~ommp_opb_geomgrad ommp_opb_geomgrad proc~ommp_opb_geomgrad->proc~opb_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~opb_geomgrad proc~ommp_full_bnd_geomgrad->proc~tortor_geomgrad proc~ommp_full_bnd_geomgrad->proc~strtor_geomgrad proc~ommp_full_bnd_geomgrad->proc~torsion_geomgrad proc~ommp_full_bnd_geomgrad->proc~angtor_geomgrad proc~ommp_full_bnd_geomgrad->proc~imptorsion_geomgrad proc~ommp_full_bnd_geomgrad->proc~pitors_geomgrad proc~ommp_full_bnd_geomgrad->proc~link_atom_angle_geomgrad proc~ommp_full_bnd_geomgrad->proc~link_atom_torsion_geomgrad proc~ommp_tortor_geomgrad ommp_tortor_geomgrad proc~ommp_tortor_geomgrad->proc~tortor_geomgrad proc~ommp_strtor_geomgrad ommp_strtor_geomgrad proc~ommp_strtor_geomgrad->proc~strtor_geomgrad proc~link_atom_torsion_geomgrad->proc~torsion_geomgrad proc~ommp_torsion_geomgrad ommp_torsion_geomgrad proc~ommp_torsion_geomgrad->proc~torsion_geomgrad proc~ommp_torsion_geomgrad->proc~link_atom_torsion_geomgrad proc~ommp_angtor_geomgrad ommp_angtor_geomgrad proc~ommp_angtor_geomgrad->proc~angtor_geomgrad proc~ommp_imptorsion_geomgrad ommp_imptorsion_geomgrad proc~ommp_imptorsion_geomgrad->proc~imptorsion_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_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 proc~ommptest_totalqmmm_geomgrad ommptest_totalqmmm_geomgrad proc~ommptest_totalqmmm_geomgrad->proc~ommp_qm_helper_link_atom_geomgrad proc~ommp_full_geomgrad ommp_full_geomgrad proc~ommptest_totalqmmm_geomgrad->proc~ommp_full_geomgrad proc~c_ommp_pitors_geomgrad C_ommp_pitors_geomgrad proc~c_ommp_pitors_geomgrad->proc~ommp_pitors_geomgrad proc~c_ommp_angle_geomgrad C_ommp_angle_geomgrad proc~c_ommp_angle_geomgrad->proc~ommp_angle_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_opb_geomgrad C_ommp_opb_geomgrad proc~c_ommp_opb_geomgrad->proc~ommp_opb_geomgrad proc~ommp_full_geomgrad->proc~ommp_full_bnd_geomgrad proc~c_ommp_tortor_geomgrad C_ommp_tortor_geomgrad proc~c_ommp_tortor_geomgrad->proc~ommp_tortor_geomgrad proc~c_ommp_strtor_geomgrad C_ommp_strtor_geomgrad proc~c_ommp_strtor_geomgrad->proc~ommp_strtor_geomgrad proc~c_ommp_torsion_geomgrad C_ommp_torsion_geomgrad proc~c_ommp_torsion_geomgrad->proc~ommp_torsion_geomgrad proc~c_ommp_angtor_geomgrad C_ommp_angtor_geomgrad proc~c_ommp_angtor_geomgrad->proc~ommp_angtor_geomgrad proc~c_ommp_imptorsion_geomgrad C_ommp_imptorsion_geomgrad proc~c_ommp_imptorsion_geomgrad->proc~ommp_imptorsion_geomgrad proc~ommptest_fakeqm_linkatom_geomgrad ommptest_fakeqm_linkatom_geomgrad proc~ommptest_fakeqm_linkatom_geomgrad->proc~ommp_qm_helper_link_atom_geomgrad proc~ommptest_fakeqm_linkatom_geomgrad->proc~ommp_full_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

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