pybec.output

output.py Module for outputting volumetric data to standard formats

Includes functions to output 3D grid data to the XCrysden file format, which can be read in by XCrysden, VESTA, or other visualization software.

Functions

add_datagrid_3d(input_filename, ...[, name])
arr_2d_string(arr)
col_major_string(v)
indent(string, num_spaces)
print_coordinates(coords, xyz_file[, ...])	Prints the XYZ coordinates to a specified file.