Révision 25e7e44b modules/calculation.py

b/modules/calculation.py
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        if cell is not False and np.linalg.det(cell) != 0.0:
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            conf.pbc = True
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            conf.cell = cell
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            conf.center()
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        elif np.linalg.det(conf.cell) == 0:
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            err_msg = "Cell is not defined"
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            logger.error(err_msg)

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