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Daily-use scripts in first principle calculation

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daily-use-scripts

1. poscar.py

Usage: poscar.py [OPTIONS]

  Parameters: number: Control whether number each line or not. atom: Control
  whether print the atom species or not. pos_type: Choose which coordinates
  to print.

Options:
  -f, --file TEXT  POSCAR File
  -n, --number     Show the number of atom
  -a, --atom       Show the species of atom
  -d, --direct     Choose Direct coordinates to print.
  -c, --cartesian  Choose Cartesian coordinates to print.
  --help           Show this message and exit.

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