sd.impl.ipp File Reference
#include "mpqc/chemistry/qc/lcao/scf/pbc/sd.h"
#include "mpqc/chemistry/qc/lcao/factory/periodic_ao_factory.h"
#include "mpqc/chemistry/qc/lcao/scf/pbc/ma.h"
#include "mpqc/chemistry/qc/lcao/scf/pbc/orthog.h"
#include "mpqc/chemistry/qc/lcao/scf/pbc/soad.h"
#include "mpqc/chemistry/qc/lcao/scf/pbc/two_center_builder.h"
#include "mpqc/chemistry/qc/lcao/scf/pbc/zorbital_localization.h"
#include "mpqc/chemistry/qc/lcao/wfn/population_analysis.h"
#include "mpqc/math/external/tiledarray/util.h"
#include "mpqc/util/external/c++/filesystem"
Include dependency graph for sd.impl.ipp:
This graph shows which files directly or indirectly include this file:
Namespaces | |
mpqc | |
The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
mpqc::lcao | |
mpqc::lcao::pbc | |
import the gaussian::utility namespace into the pbc::gaussian namespace | |
Macros | |
#define | MPQC4_SRC_MPQC_CHEMISTRY_QC_SCF_PBC_SD_IPP_ |
Functions | |
template<typename... Args> | |
auto | mpqc::lcao::pbc::initial_guess (const KeyVal &kv, pbc::gaussian::AOFactory< Args... > &ao_factory) |
void | mpqc::lcao::pbc::chop_phase (MatrixZ &mat, double tolerance=std::numeric_limits< double >::epsilon()) |
Macro Definition Documentation
◆ MPQC4_SRC_MPQC_CHEMISTRY_QC_SCF_PBC_SD_IPP_
#define MPQC4_SRC_MPQC_CHEMISTRY_QC_SCF_PBC_SD_IPP_ |