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Commit f41b4b3

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author
Yannick Calvino Alonso
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fixed default argparse arguments
1 parent 37132f3 commit f41b4b3

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qstack/spahm/rho/bond.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -181,7 +181,7 @@ def main():
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parser.add_argument('--cutoff', type=float, dest='cutoff', default=defaults.cutoff, help=f'bond length cutoff in Å (default={defaults.cutoff})')
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parser.add_argument('--bpath', type=str, dest='bpath', default=defaults.bpath, help=f'directory with basis sets (default={defaults.bpath})')
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parser.add_argument('--omod', type=str, dest='omod', default=defaults.omod, nargs='+', help=f'model for open-shell systems (alpha, beta, sum, diff, default={defaults.omod})')
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parser.add_argument('--model', type=str, dest='model', default=defaults.omod, help=f'model for the atomic density fitting (default={defaults.model})')
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parser.add_argument('--model', type=str, dest='model', default=defaults.model, help=f'model for the atomic density fitting (default={defaults.model})')
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parser.add_argument('--print', type=int, dest='print', default=0, help='printing level')
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parser.add_argument('--zeros', action='store_true', dest='zeros', default=False, help='use a version with more padding zeros')
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parser.add_argument('--split', action='store_true', dest='split', default=False, help='split into molecules')

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