ang_torsion Function

private pure function ang_torsion(top, idx)

Compute the torsional angle between four atoms specified with indices idx; results are in range [-pi;pi]

Arguments

Type IntentOptional Attributes Name
type(ommp_topology_type), intent(in) :: top
integer(kind=ip), intent(in) :: idx(4)

Return Value real(kind=rp)


Called by

proc~~ang_torsion~~CalledByGraph proc~ang_torsion ang_torsion proc~tortor_potential tortor_potential proc~tortor_potential->proc~ang_torsion proc~tortor_geomgrad tortor_geomgrad proc~tortor_geomgrad->proc~ang_torsion proc~ommp_get_tortor_energy ommp_get_tortor_energy proc~ommp_get_tortor_energy->proc~tortor_potential proc~ommp_tortor_geomgrad ommp_tortor_geomgrad proc~ommp_tortor_geomgrad->proc~tortor_geomgrad proc~ommp_full_bnd_geomgrad ommp_full_bnd_geomgrad proc~ommp_full_bnd_geomgrad->proc~tortor_geomgrad proc~ommp_get_full_bnd_energy ommp_get_full_bnd_energy proc~ommp_get_full_bnd_energy->proc~tortor_potential proc~c_ommp_get_tortor_energy C_ommp_get_tortor_energy proc~c_ommp_get_tortor_energy->proc~ommp_get_tortor_energy proc~c_ommp_tortor_geomgrad C_ommp_tortor_geomgrad proc~c_ommp_tortor_geomgrad->proc~ommp_tortor_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_get_full_energy ommp_get_full_energy proc~ommp_get_full_energy->proc~ommp_get_full_bnd_energy proc~ommp_full_geomgrad ommp_full_geomgrad proc~ommp_full_geomgrad->proc~ommp_full_bnd_geomgrad proc~c_ommp_get_full_bnd_energy C_ommp_get_full_bnd_energy proc~c_ommp_get_full_bnd_energy->proc~ommp_get_full_bnd_energy proc~c_ommp_get_full_energy C_ommp_get_full_energy proc~c_ommp_get_full_energy->proc~ommp_get_full_energy proc~c_ommp_full_geomgrad C_ommp_full_geomgrad proc~c_ommp_full_geomgrad->proc~ommp_full_geomgrad

Contents