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Searched defs:Nel_up (Results 1 – 13 of 13) sorted by relevance

/dports/science/chemps2/CheMPS2-1.8.10/PyCheMPS2/tests/
H A Dtest2.py62 Nel_up = ( Nelec + TwoS ) / 2 variable
H A Dtest4.py73 Nel_up = ( Nelec + TwoS ) / 2 variable
H A Dtest3.py55 Nel_up = ( Nelec + TwoS ) / 2 variable
H A Dtest10.py62 Nel_up = ( Nelec + TwoS ) / 2 variable
H A Dtest11.py72 Nel_up = ( Nelec + TwoS ) / 2 variable
/dports/science/chemps2/CheMPS2-1.8.10/tests/
H A Dtest4.cpp.in87 const int Nel_up = ( N + TwoS ) / 2; local
H A Dtest3.cpp.in71 const int Nel_up = ( N + TwoS ) / 2; local
H A Dtest2.cpp.in71 const int Nel_up = ( N + TwoS ) / 2; local
H A Dtest10.cpp.in80 const int Nel_up = ( N + TwoS ) / 2; local
H A Dtest11.cpp.in89 const int Nel_up = ( N + TwoS ) / 2; local
/dports/science/chemps2/CheMPS2-1.8.10/CheMPS2/include/chemps2/
H A DFCI.h473 unsigned int Nel_up; variable
/dports/science/chemps2/CheMPS2-1.8.10/integrals/pyscf/
H A Ddebug_4rdm.py107 Nel_up = ( N + mol.spin ) / 2 variable
/dports/science/chemps2/CheMPS2-1.8.10/PyCheMPS2/
H A DPyCheMPS2.pyx263 …def __cinit__(self, PyHamiltonian theHam, unsigned int Nel_up, unsigned int Nel_down, int TargetIr…