libint2_calls.cc File Reference

#include <algorithm>
#include <chrono>
#include <numeric>
#include "votca/xtp/ERIs.h"
#include "votca/xtp/aobasis.h"
#include "votca/xtp/aogaussiansites.h"
#include "votca/xtp/aomatrix.h"
#include "votca/xtp/environmentscreening.h"
#include "votca/xtp/threecenter.h"
#include "votca/xtp/make_libint_work.h"
#include <libint2.hpp>
#include <libint2/statics_definition.h>

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Namespaces
namespace	votca
	Provides a means for comparing floating point numbers.
namespace	votca::xtp
	Charge transport classes.

Macros
#define	LIBINT2_CONSTEXPR_STATICS   0

Functions
template<libint2::Operator obtype, typename OperatorParams = typename libint2::operator_traits<obtype>::oper_params_type>
std::array< MatrixLibInt, libint2::operator_traits< obtype >::nopers >	votca::xtp::computeOneBodyIntegrals (const AOBasis &aobasis, OperatorParams oparams=OperatorParams())
std::vector< Eigen::MatrixXd >	votca::xtp::ComputeAO3cBlock (const libint2::Shell &auxshell, const AOBasis &dftbasis, libint2::Engine &engine)

Macro Definition Documentation

LIBINT2_CONSTEXPR_STATICS

#define LIBINT2_CONSTEXPR_STATICS   0

Definition at line 35 of file libint2_calls.cc.