xdatbus.c02a_xdc_unwrap

Functions

xdc_unwrap([xdc_path, output_path, show_progress])	Unwrap the coordinates in the XDATCAR file (to .xyz).
main()

Module Contents

xdatbus.c02a_xdc_unwrap.xdc_unwrap(xdc_path='./XDATBUS', output_path='./XDATBUS_unwrap.xyz', show_progress=False)

Unwrap the coordinates in the XDATCAR file (to .xyz).

xdc_pathstr

Input path of the XDATCAR file

output_pathstr

Output path of the xyz file

show_progressbool (optional)

Show the progress bar or not

xdatbus.c02a_xdc_unwrap.main()