esta.gaussianBag.xxx__input_gaussian_TODO
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get_str_and_float(sf)
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input:
list of strings
output:
list of stings and floats; is it not intersting ..ha ha ..sk!
example: o_list = ['sdata', '218', '167', '-0.0001'] t_list = [get_list_of_string_and_float(v) for v in o_list] print(t_list)
get_atomic_positions(filename)
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get atomic positiions and atomic labels from gaussian com file