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src/c/c/cclib-1.2/src/cclib/bridge/cclib2pyquante.py   cclib(Download)
# the full license online at http://www.gnu.org/copyleft/lgpl.html.
 
from PyQuante.Molecule import Molecule
 
def makepyquante(atomcoords, atomnos, charge=0, mult=1):
    -73.8
    """
    return Molecule("notitle", list(zip(atomnos, atomcoords)), units="Angstrom",
                    charge=charge, multiplicity=mult)
 

src/r/m/RMG-Py-HEAD/external/cclib/bridge/cclib2pyquante.py   RMG-Py(Download)
__revision__ = "$Revision: 737 $"
 
from PyQuante.Molecule import Molecule
 
def makepyquante(atomcoords, atomnos, charge=0, mult=1):
    -73.8
    """
    return Molecule("notitle", zip(atomnos, atomcoords), units="Angstrom",
                    charge=charge, multiplicity=mult)