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basis.cpp File Reference
#include "mpqc/chemistry/molecule/common.h"#include "mpqc/chemistry/molecule/molecule.h"#include "mpqc/chemistry/qc/lcao/basis/basis.h"#include "mpqc/chemistry/qc/lcao/basis/shell_vec_functions.h"#include "mpqc/util/core/exception.h"#include "mpqc/util/core/exenv.h"#include "mpqc/util/core/formio.h"#include "mpqc/util/keyval/forcelink.h"#include "mpqc/util/misc/assert.h"#include "mpqc/util/misc/default_madworld.h"
Include dependency graph for basis.cpp:
Namespaces | |
| mpqc | |
| The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
| mpqc::lcao | |
| mpqc::lcao::gaussian | |
| mpqc::lcao::gaussian::detail | |
Functions | |
| MPQC_CLASS_EXPORT2 ("Basis", mpqc::lcao::gaussian::AtomicBasis) | |
| bool mpqc::lcao::gaussian::detail::equal (const std::array< double, 3 > &arr3, const Eigen::Vector3d &vec3) | |
| std::ostream & mpqc::lcao::gaussian::operator<< (std::ostream &os, Basis::Factory const &f) | |
| std::ostream & mpqc::lcao::gaussian::operator<< (std::ostream &os, Basis const &b) | |
| Eigen::RowVectorXi mpqc::lcao::gaussian::sub_basis_map (const Basis &basis, const Basis &sub_basis) | |
| std::shared_ptr< const Basis > mpqc::lcao::gaussian::merge (const Basis &basis1, const Basis &basis2) | |
| Basis mpqc::lcao::gaussian::parallel_make_basis (madness::World &world, const Basis::Factory &factory, const mpqc::Molecule &mol) | |
| std::ostream & mpqc::lcao::gaussian::operator<< (std::ostream &os, AtomicBasis const &b) | |
Function Documentation
◆ MPQC_CLASS_EXPORT2()
| MPQC_CLASS_EXPORT2 | ( | "Basis" | , |
| mpqc::lcao::gaussian::AtomicBasis | |||
| ) |
