Index

A

add() (in module pyqcstrc.ico2.math1), [1] add_vectors() (in module pyqcstrc.ico2.math1), [1] as_it_is() (in module pyqcstrc.dode.occupation_domain) (in module pyqcstrc.ico.occupation_domain), [1]

asymmetric() (in module pyqcstrc.dode.occupation_domain) (in module pyqcstrc.ico.occupation_domain), [1] (in module pyqcstrc.ico2.occupation_domain), [1]

B

ball_radius() (in module pyqcstrc.ico2.intsct)

ball_radius_obj() (in module pyqcstrc.ico2.intsct) breps() (in module pyqcstrc.ico2.utils), [1]

C

centroid() (in module pyqcstrc.ico2.math1), [1] centroid_obj() (in module pyqcstrc.ico2.math1), [1] check_connectivity_tetrahedra() (in module pyqcstrc.ico2.utils), [1] check_intersection_segment_surface_numerical() (in module pyqcstrc.ico2.numericalc), [1] check_intersection_segment_surface_numerical_6d_tau() (in module pyqcstrc.ico2.numericalc), [1] check_intersection_two_segment_numerical() (in module pyqcstrc.ico2.numericalc), [1]

check_intersection_two_segment_numerical_6d_tau() (in module pyqcstrc.ico2.numericalc), [1] check_intersection_two_tetrahedron_4() (in module pyqcstrc.ico2.intsct) coplanar_check() (in module pyqcstrc.ico2.math1), [1] coplanar_check_numeric() (in module pyqcstrc.ico2.numericalc), [1] coplanar_check_numeric_tau() (in module pyqcstrc.ico2.numericalc), [1] coplanar_check_two_triangles() (in module pyqcstrc.ico2.utils), [1]

D

decomposition() (in module pyqcstrc.ico2.intsct) (in module pyqcstrc.ico2.utils) det_matrix() (in module pyqcstrc.ico2.math1), [1]

distance_in_perp_space() (in module pyqcstrc.ico2.intsct) div() (in module pyqcstrc.ico2.math1), [1] dot_product() (in module pyqcstrc.ico2.math1), [1] dot_product_1() (in module pyqcstrc.ico2.math1), [1]

E

equivalent() (in module pyqcstrc.ico2.utils), [1] equivalent_edges() (in module pyqcstrc.ico2.utils), [1]

equivalent_tetrahedra() (in module pyqcstrc.ico2.utils), [1] equivalent_triangles() (in module pyqcstrc.ico2.utils), [1] equivalent_vertices() (in module pyqcstrc.ico2.utils)

G

gen_border_edges_of_coplanar_triangles() (in module pyqcstrc.ico2.utils), [1] gen_surface() (in module pyqcstrc.ico.occupation_domain), [1] generate_border_edges() (in module pyqcstrc.ico2.occupation_domain), [1] generate_convex_hull() (in module pyqcstrc.ico2.utils), [1] generate_edges() (in module pyqcstrc.ico.occupation_domain), [1] generator_all_edges() (in module pyqcstrc.ico2.utils), [1] generator_equivalent_vec() (in module pyqcstrc.ico2.symmetry) generator_equivalent_vectors() (in module pyqcstrc.ico2.symmetry) generator_obj_symmetric_obj() (in module pyqcstrc.ico2.symmetry) generator_obj_symmetric_surface() (in module pyqcstrc.ico2.symmetry) generator_obj_symmetric_tetrahedron() (in module pyqcstrc.ico2.symmetry) generator_obj_symmetric_tetrahedron_0() (in module pyqcstrc.ico2.symmetry) generator_obj_symmetric_tetrahedron_specific_symop() (in module pyqcstrc.ico2.symmetry) generator_obj_symmetric_vec() (in module pyqcstrc.ico2.symmetry)

generator_surface_1() (in module pyqcstrc.ico2.utils), [1] generator_unique_edges() (in module pyqcstrc.ico2.utils), [1] generator_unique_triangles() (in module pyqcstrc.ico2.utils), [1] genobjv() (in module pyqcstrc.dode.occupation_domain) (in module pyqcstrc.ico.two_occupation_domains), [1] genstrc() (in module pyqcstrc.dode.occupation_domain) get_common_edges() (in module pyqcstrc.ico2.utils), [1] get_common_triangle_in_two_tetrahedra() (in module pyqcstrc.ico2.utils), [1] get_internal_component_numerical() (in module pyqcstrc.ico2.numericalc), [1] get_internal_component_sets_numerical() (in module pyqcstrc.ico2.numericalc), [1] get_perp_component() (in module pyqcstrc.dode.occupation_domain) get_sets_of_coplanar_triangles() (in module pyqcstrc.ico2.utils), [1] get_tetrahedron_edge() (in module pyqcstrc.ico2.utils), [1] get_tetrahedron_surface() (in module pyqcstrc.ico2.utils), [1] get_triangle_edge() (in module pyqcstrc.ico2.utils), [1]

I

icosasymop() (in module pyqcstrc.ico2.symmetry) inner_product() (in module pyqcstrc.ico2.math1), [1] inner_product_numerical() (in module pyqcstrc.ico2.numericalc) inside_outside_obj() (in module pyqcstrc.ico2.numericalc), [1] inside_outside_obj_tau() (in module pyqcstrc.ico2.numericalc) inside_outside_tetrahedron() (in module pyqcstrc.ico2.numericalc), [1] inside_outside_tetrahedron_tau() (in module pyqcstrc.ico2.numericalc), [1] intersection() (in module pyqcstrc.dode.occupation_domain) (in module pyqcstrc.ico.two_occupation_domains), [1] (in module pyqcstrc.ico2.two_occupation_domains), [1]

intersection_2() (in module pyqcstrc.ico.two_occupation_domains), [1] intersection_3() (in module pyqcstrc.ico.two_occupation_domains), [1] intersection_convex() (in module pyqcstrc.ico.two_occupation_domains), [1] (in module pyqcstrc.ico2.two_occupation_domains), [1] intersection_old() (in module pyqcstrc.ico.two_occupation_domains), [1] intersection_segment_surface() (in module pyqcstrc.ico2.intsct) intersection_two_obj_1() (in module pyqcstrc.ico2.intsct) intersection_two_obj_convex() (in module pyqcstrc.ico2.intsct) intersection_two_segment() (in module pyqcstrc.ico2.intsct) intersection_two_segments() (in module pyqcstrc.dode.occupation_domain) intersection_two_tetrahedron_4() (in module pyqcstrc.ico2.intsct)

L

length_numerical() (in module pyqcstrc.ico2.numericalc), [1]

M

matrix_dot() (in module pyqcstrc.ico2.numericalc) matrixpow() (in module pyqcstrc.ico2.math1), [1] merge_two_tetrahedra() (in module pyqcstrc.ico2.utils), [1] merge_two_tetrahedra_in_obj() (in module pyqcstrc.ico2.utils) mergev() (in module pyqcstrc.ico.two_occupation_domains), [1] mergev3() (in module pyqcstrc.ico.two_occupation_domains), [1] mergev_objs() (in module pyqcstrc.ico.two_occupation_domains), [1] middle_position() (in module pyqcstrc.ico2.utils) module pyqcstrc pyqcstrc.deca, [1], [2] pyqcstrc.dode, [1], [2] pyqcstrc.dode.occupation_domain pyqcstrc.ico, [1], [2] pyqcstrc.ico.occupation_domain, [1] pyqcstrc.ico.two_occupation_domains, [1] pyqcstrc.ico2 pyqcstrc.ico2.intsct pyqcstrc.ico2.math1, [1] pyqcstrc.ico2.numericalc, [1] pyqcstrc.ico2.occupation_domain, [1] pyqcstrc.ico2.symmetry, [1] pyqcstrc.ico2.two_occupation_domains, [1] pyqcstrc.ico2.utils, [1] pyqcstrc.version

mtrixcal() (in module pyqcstrc.ico2.math1), [1] mul() (in module pyqcstrc.ico2.math1), [1] mul_vector() (in module pyqcstrc.ico2.math1), [1] mul_vectors() (in module pyqcstrc.ico2.math1), [1]

N

numeric_value() (in module pyqcstrc.ico2.numericalc), [1]

numerical_vector() (in module pyqcstrc.ico2.numericalc), [1] numerical_vectors() (in module pyqcstrc.ico2.numericalc), [1]

O

obj_volume_6d() (in module pyqcstrc.ico2.utils), [1] obj_volume_6d_numerical() (in module pyqcstrc.ico2.numericalc), [1] obj_volume_numerical() (in module pyqcstrc.ico2.numericalc), [1]

on_out_surface() (in module pyqcstrc.ico2.numericalc), [1] outer_product() (in module pyqcstrc.ico2.math1), [1] outline() (in module pyqcstrc.dode.occupation_domain) outline1() (in module pyqcstrc.dode.occupation_domain)

P

point_on_segment() (in module pyqcstrc.ico2.numericalc), [1] projection() (in module pyqcstrc.ico2.math1), [1] projection3() (in module pyqcstrc.ico2.math1), [1] projection3_numerical() (in module pyqcstrc.ico2.numericalc), [1] projection3_sets_numerical() (in module pyqcstrc.ico2.numericalc), [1] projection_numerical() (in module pyqcstrc.ico2.numericalc), [1] projection_perp() (in module pyqcstrc.ico2.math1), [1] projection_sets_numerical() (in module pyqcstrc.ico2.numericalc), [1] pyqcstrc module pyqcstrc.deca module, [1], [2] pyqcstrc.dode module, [1], [2] pyqcstrc.dode.occupation_domain module pyqcstrc.ico module, [1], [2] pyqcstrc.ico.occupation_domain module, [1]

pyqcstrc.ico.two_occupation_domains module, [1] pyqcstrc.ico2 module pyqcstrc.ico2.intsct module pyqcstrc.ico2.math1 module, [1] pyqcstrc.ico2.numericalc module, [1] pyqcstrc.ico2.occupation_domain module, [1] pyqcstrc.ico2.symmetry module, [1] pyqcstrc.ico2.two_occupation_domains module, [1] pyqcstrc.ico2.utils module, [1] pyqcstrc.version module

Q

qcstrc() (in module pyqcstrc.dode.occupation_domain)

R

read_xyz() (in module pyqcstrc.dode.occupation_domain) (in module pyqcstrc.ico.occupation_domain), [1] (in module pyqcstrc.ico2.occupation_domain), [1] remove_doubling() (in module pyqcstrc.ico2.utils), [1]

remove_doubling_in_perp_space() (in module pyqcstrc.ico2.utils), [1] remove_vector() (in module pyqcstrc.ico2.utils), [1] remove_vectors() (in module pyqcstrc.ico2.utils), [1] rough_check_intersection_tetrahedron_obj() (in module pyqcstrc.ico2.intsct)

S

shift() (in module pyqcstrc.dode.occupation_domain) (in module pyqcstrc.ico.occupation_domain), [1] (in module pyqcstrc.ico2.occupation_domain), [1] shift_object() (in module pyqcstrc.ico2.utils), [1] similarity() (in module pyqcstrc.dode.occupation_domain) simpl_add_point() (in module pyqcstrc.ico.occupation_domain), [1] simpl_manual() (in module pyqcstrc.ico.occupation_domain), [1] simpl_manual_2() (in module pyqcstrc.ico.occupation_domain), [1] simple() (in module pyqcstrc.ico.occupation_domain), [1] simple_hand_step1() (in module pyqcstrc.ico.occupation_domain), [1] (in module pyqcstrc.ico2.occupation_domain), [1] simple_hand_step2() (in module pyqcstrc.ico.occupation_domain), [1] (in module pyqcstrc.ico2.occupation_domain), [1] simple_rondom() (in module pyqcstrc.ico.occupation_domain), [1] simple_special() (in module pyqcstrc.ico.occupation_domain), [1] simple_special_1() (in module pyqcstrc.ico.occupation_domain), [1] simplification() (in module pyqcstrc.ico.occupation_domain), [1] (in module pyqcstrc.ico2.occupation_domain), [1]

site_symmetry() (in module pyqcstrc.dode.occupation_domain) (in module pyqcstrc.ico.occupation_domain), [1] (in module pyqcstrc.ico2.occupation_domain), [1] sort_obj() (in module pyqcstrc.ico2.utils), [1] sort_vctors() (in module pyqcstrc.ico2.utils), [1] sub() (in module pyqcstrc.ico2.math1), [1] sub_vectors() (in module pyqcstrc.ico2.math1), [1] subtraction() (in module pyqcstrc.ico.two_occupation_domains), [1] (in module pyqcstrc.ico2.two_occupation_domains), [1] subtraction_two_obj() (in module pyqcstrc.ico2.intsct) surface_cleaner() (in module pyqcstrc.ico2.utils), [1] symmetric() (in module pyqcstrc.dode.occupation_domain) (in module pyqcstrc.ico.occupation_domain), [1] (in module pyqcstrc.ico2.occupation_domain), [1] symmetric_0() (in module pyqcstrc.ico2.occupation_domain), [1] symmetric_12() (in module pyqcstrc.dode.occupation_domain) symop_obj() (in module pyqcstrc.ico2.symmetry), [1] symop_vec() (in module pyqcstrc.ico2.symmetry), [1] symop_vecs() (in module pyqcstrc.ico2.symmetry), [1]

T

tetrahedralization_points() (in module pyqcstrc.ico2.utils) tetrahedron_not_obj_1() (in module pyqcstrc.ico2.intsct) tetrahedron_not_obj_2() (in module pyqcstrc.ico2.intsct) tetrahedron_volume() (in module pyqcstrc.ico2.utils), [1] tetrahedron_volume_6d() (in module pyqcstrc.ico2.utils), [1]

tetrahedron_volume_6d_numerical() (in module pyqcstrc.ico2.numericalc), [1] tetrahedron_volume_numerical() (in module pyqcstrc.ico2.numericalc), [1] triangle_area() (in module pyqcstrc.ico2.numericalc), [1] triangle_area_numerical() (in module pyqcstrc.ico2.numericalc), [1] triangulation() (in module pyqcstrc.dode.occupation_domain) two_segment_into_one() (in module pyqcstrc.ico2.utils)

V

volume() (in module pyqcstrc.ico.occupation_domain) (in module pyqcstrc.ico2.occupation_domain)

W

write() (in module pyqcstrc.dode.occupation_domain) (in module pyqcstrc.ico.occupation_domain), [1] (in module pyqcstrc.ico2.occupation_domain), [1] write_podatm() (in module pyqcstrc.ico.occupation_domain), [1] (in module pyqcstrc.ico2.occupation_domain), [1]

write_vesta() (in module pyqcstrc.dode.occupation_domain) (in module pyqcstrc.ico.occupation_domain), [1] (in module pyqcstrc.ico2.occupation_domain), [1] write_xyz() (in module pyqcstrc.dode.occupation_domain) (in module pyqcstrc.ico.occupation_domain), [1] (in module pyqcstrc.ico2.occupation_domain), [1]