link_atom_position Subroutine

public subroutine link_atom_position(la, idx, crd)

Compute the cartesian coordinates of link atom idx at the current geometry.

Arguments

Type IntentOptional Attributes Name
type(ommp_link_atom_type), intent(in) :: la
integer(kind=ip), intent(in) :: idx
real(kind=rp), intent(out) :: crd(3)

Called by

proc~~link_atom_position~~CalledByGraph proc~link_atom_position link_atom_position proc~ommp_create_link_atom ommp_create_link_atom proc~ommp_create_link_atom->proc~link_atom_position proc~ommp_update_link_atoms_position ommp_update_link_atoms_position proc~ommp_update_link_atoms_position->proc~link_atom_position proc~ommp_get_link_atom_coordinates ommp_get_link_atom_coordinates proc~ommp_get_link_atom_coordinates->proc~link_atom_position proc~c_ommp_create_link_atom C_ommp_create_link_atom proc~c_ommp_create_link_atom->proc~ommp_create_link_atom proc~c_ommp_get_link_atom_coordinates C_ommp_get_link_atom_coordinates proc~c_ommp_get_link_atom_coordinates->proc~ommp_get_link_atom_coordinates proc~update_coordinates_qmmm update_coordinates_qmmm proc~update_coordinates_qmmm->proc~ommp_update_link_atoms_position proc~c_ommp_update_link_atoms_position C_ommp_update_link_atoms_position proc~c_ommp_update_link_atoms_position->proc~ommp_update_link_atoms_position proc~numerical_geomgrad_qmmm numerical_geomgrad_qmmm proc~numerical_geomgrad_qmmm->proc~update_coordinates_qmmm

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