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cint_interface.h File Reference
#include <occ/core/multipole.h>
#include <occ/gto/shell.h>
#include <occ/3rdparty/cint_wrapper.h>
Include dependency graph for cint_interface.h:
This graph shows which files directly or indirectly include this file:

Classes

struct  occ::qm::cint::impl::AtomInfo
struct  occ::qm::cint::impl::BasisInfo
class  occ::qm::cint::IntegralEnvironment
class  occ::qm::cint::Optimizer
struct  occ::qm::cint::Shell
class  occ::qm::cint::AOBasis
struct  occ::qm::cint::Atom
 Class representing and holding data for an Atom in 3D space. More...

Namespaces

namespace  occ
namespace  occ::qm
 quantum mechanics/quantum chemistry functionality including Hartree-Fock and more
namespace  occ::qm::cint
namespace  occ::qm::cint::impl

Enumerations

enum class  occ::qm::cint::Operator {
  occ::qm::cint::overlap , occ::qm::cint::nuclear , occ::qm::cint::kinetic , occ::qm::cint::coulomb ,
  occ::qm::cint::dipole , occ::qm::cint::quadrupole , occ::qm::cint::octapole , occ::qm::cint::hexadecapole ,
  occ::qm::cint::rinv
}

Functions

template<bool flag = false>
void occ::qm::cint::impl::static_invalid_operator ()