Révision 9 prepareQMX.py

prepareQMX.py (revision 9)
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    line = getline(section, "program", lines)
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    if line is None:
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        line=""
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    if True or line.lower() == "turbomole":
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    if line.lower() == "turbomole":
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        data.str_import = "from ase.io.turbomole import read_turbomole"
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        data.str_class = "read_turbomole"
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    elif line.lower() == "vasp":
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        data.str_import = "from ase.io.vasp import read_vasp"
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        data.str_class = "read_vasp"
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    data.str_structure = getline(section, "structure", lines)
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    return data

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