Index

Symbols

--abc es_cellmultiply.py command line option --hmat es_cellmultiply.py command line option --leafsize es_fitting.py command line option --periodic es_fitting.py command line option --radians es_cellmultiply.py command line option --sc_in es_cellmultiply.py command line option

--sc_out es_cellmultiply.py command line option --scaled es_cp2k2xyz.py command line option --X es_cellmultiply.py command line option --Y es_cellmultiply.py command line option --Z es_cellmultiply.py command line option

_

__init__() (euston.io.FileIO method) _fh (euston.io.FileIO attribute) _loaded (euston.io.FileIO attribute)

_parse() (euston.io.Cp2kInput method) (euston.io.Cp2kLog method) (euston.io.CubeFile method) (euston.io.FileIO method) (euston.io.XYZ method) _parsed (euston.io.FileIO attribute) _prepare() (euston.io.Cp2kInput method)

A

abc_to_hmatrix() (in module euston.geometry)

B

boolean() (euston.io.Cp2kInput method)

box_vertices() (in module euston.geometry)

C

cartesian_to_scaled_coordinates() (in module euston.geometry) cell_multiply() (in module euston.geometry) cell_volume() (in module euston.geometry) count_atoms() (euston.io.CubeFile method) (euston.io.XYZ method)

count_voxels() (euston.io.CubeFile method) Cp2kInput (class in euston.io) Cp2kLog (class in euston.io) CubeFile (class in euston.io)

E

es_cellmultiply (module) es_cellmultiply.py command line option --X --Y --Z --abc --hmat --radians --sc_in --sc_out input output es_cp2k2xyz (module) es_cp2k2xyz.py command line option --scaled input output es_cp2kpretty (module)

es_fitting (module) es_fitting.py command line option --leafsize --periodic filename input output euston.geometry (module) euston.helper (module) euston.io (module)

F

FileIO (class in euston.io)

filename es_fitting.py command line option

G

get_cell_vectors() (euston.io.Cp2kInput method) get_coordinates() (euston.io.CubeFile method) (euston.io.XYZ method) get_h_matrix() (euston.io.CubeFile method) get_keyword_checked() (euston.io.Cp2kInput method) get_labels() (euston.io.XYZ method) get_num_cores() (euston.io.Cp2kLog method) get_num_md() (euston.io.Cp2kLog method) get_num_spc() (euston.io.Cp2kLog method) get_path() (euston.io.Cp2kInput method)

get_projection() (euston.io.CubeFile method) get_time_spc() (euston.io.Cp2kLog method) get_val() (euston.io.CubeFile method) get_values_matching() (euston.io.Cp2kLog method) get_voxel_pos() (euston.io.CubeFile method) get_voxel_volume() (euston.io.CubeFile method) get_xlen() (euston.io.CubeFile method) get_ylen() (euston.io.CubeFile method) get_zlen() (euston.io.CubeFile method)

H

hmatrix_to_abc() (in module euston.geometry)

human_readable_time() (in module euston.helper)

I

input es_cellmultiply.py command line option es_cp2k2xyz.py command line option es_fitting.py command line option

M

main() (in module es_cellmultiply) (in module es_cp2k2xyz) (in module es_cp2kpretty) (in module es_fitting), [1]

O

output es_cellmultiply.py command line option es_cp2k2xyz.py command line option es_fitting.py command line option

R

repeat_vector() (in module euston.geometry) require_loaded() (in module euston.io)

require_parsed() (in module euston.io)

S

scaled_to_cartesian_coordinates() (in module euston.geometry) set_coordinates() (euston.io.CubeFile method)

set_data() (euston.io.XYZ method) set_lines() (euston.io.Cp2kInput method)

T

to_string() (euston.io.Cp2kInput method) (euston.io.CubeFile method) (euston.io.XYZ method)

W

write_lines() (in module euston.io)

X

XYZ (class in euston.io)