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A tool for drawing vaspcar file or cif file by VESTA automatically.

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wankiwi/AutoVestaDraw

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AutoVestaDraw

A tool for drawing vaspcar file or cif file by VESTA automatically.
Required packages: (1) pyautogui > 0.9.52 (2) opencv > 4.0.0 (3) VESTA > 3.5.0

usage: AutoVestaDraw.py [-h] [-v] [-f INPUT_FILENAME] [-df DIR_FILE | -w | -l]

Draw vaspcar file or cif file by VESTA automatically.

optional arguments:
-h, --help show this help message and exit
-v, --version Display version
-f INPUT_FILENAME, --input_filename INPUT_FILENAME
The name of file you want to draw. [Optional] [default=CONTCAR]
-df DIR_FILE, --dir_file DIR_FILE
Conflicts with -w -l option. The input file with the path list of folder you want to draw (One line writes one path). [Optional]
-w, --walk
Conflicts with -df -l option. Traverse all folders (depth=max) in the current working directory. [Optional] [default=False]
-l, --loop_through
Conflicts with -df -w option. Loop through all subfolders (depth=1) under the current folder. [Optional] [default=False]
Without [-df | -w | -l] option will only draw by the file in the current directory.

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A tool for drawing vaspcar file or cif file by VESTA automatically.

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