vectormag_3D Struct Reference

#include <geometries.h>

List of all members.

Public Attributes
double	i
double	j
double	k
double	d
	i,j,k vector with magnitude d

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Detailed Description

Definition at line 28 of file geometries.h.

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Member Data Documentation

double vectormag_3D::d

i,j,k vector with magnitude d

Definition at line 29 of file geometries.h.

Referenced by add_trajcrds_to_prmtop_assembly(), add_vec(), coord_to_vec(), create_rotation_matrix(), get_crossprod(), get_dihedral_ABCD_points(), get_dihedral_bonded_ABCD(), get_molecule_point_charge_dipole(), get_plane_for_ring(), initialize_vectormag_3D(), normalize_vec(), rotate_vector_to_Z_list(), rotate_vector_to_Z_M(), scalarmult_vec(), subtract_vec(), and zero_vec().

double vectormag_3D::i

Definition at line 29 of file geometries.h.

Referenced by add_trajcrds_to_prmtop_assembly(), add_vec(), coord_to_vec(), create_rotation_matrix(), get_angle_between_plane_and_vector(), get_cartesian_point_from_internal_coords(), get_crossprod(), get_dotprod(), get_magnitude(), get_molecule_point_charge_dipole(), get_plane_for_ring(), initialize_vectormag_3D(), normalize_vec(), rotate_vector_to_Z_list(), rotate_vector_to_Z_M(), scalarmult_vec(), subtract_vec(), vec_to_coord(), and zero_vec().

double vectormag_3D::j

Definition at line 29 of file geometries.h.

Referenced by add_trajcrds_to_prmtop_assembly(), add_vec(), coord_to_vec(), create_rotation_matrix(), get_angle_between_plane_and_vector(), get_cartesian_point_from_internal_coords(), get_crossprod(), get_dotprod(), get_magnitude(), get_molecule_point_charge_dipole(), get_plane_for_ring(), initialize_vectormag_3D(), normalize_vec(), rotate_vector_to_Z_list(), rotate_vector_to_Z_M(), scalarmult_vec(), subtract_vec(), vec_to_coord(), and zero_vec().

double vectormag_3D::k

Definition at line 29 of file geometries.h.

Referenced by add_trajcrds_to_prmtop_assembly(), add_vec(), coord_to_vec(), create_rotation_matrix(), get_angle_between_plane_and_vector(), get_cartesian_point_from_internal_coords(), get_crossprod(), get_dotprod(), get_magnitude(), get_molecule_point_charge_dipole(), get_plane_for_ring(), initialize_vectormag_3D(), normalize_vec(), rotate_vector_to_Z_list(), rotate_vector_to_Z_M(), scalarmult_vec(), subtract_vec(), vec_to_coord(), and zero_vec().

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The documentation for this struct was generated from the following file:

• inc/geometries.h