GQCP
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Namespaces | Functions
expectation_values.hpp File Reference
#include "DensityMatrix/SpinResolved1DM.hpp"
#include "DensityMatrix/SpinResolved2DM.hpp"
#include "Operator/SecondQuantized/SQHamiltonian.hpp"
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Namespaces

namespace  GQCP
 

Functions

template<typename Scalar >
double GQCP::calculateSpinSquared (const SpinResolved1DM< Scalar > &one_DMs, const SpinResolved2DM< Scalar > &two_DMs)
 
template<typename Scalar >
double GQCP::calculateSpinZ (const SpinResolved1DM< Scalar > &one_DMs)