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Searched defs:Fill3RDM (Results 1 – 2 of 2) sorted by relevance

/dports/science/chemps2/CheMPS2-1.8.10/PyCheMPS2/
H A DPyCheMPS2.pyx284 …def Fill3RDM(self, np.ndarray[double, ndim=1, mode="c"] GSvector not None, np.ndarray[double, ndim… member in PyFCI
/dports/science/chemps2/CheMPS2-1.8.10/CheMPS2/
H A DFCI.cpp1168 void CheMPS2::FCI::Fill3RDM( double * vector, double * output ) const{ in Fill3RDM() function in CheMPS2::FCI