#include "votca/xtp/ERIs.h"#include "votca/xtp/aobasis.h"#include "votca/xtp/aomatrix.h"#include "votca/xtp/openmp_cuda.h"#include "votca/xtp/threecenter.h"#include "votca/xtp/make_libint_work.h"#include <libint2.hpp>#include <libint2/statics_definition.h>
Include dependency graph for libint2_calls.cc:
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Namespaces | |
| namespace | votca |
| base class for all analysis tools | |
| 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 29 of file libint2_calls.cc.
