occ_input.h File Reference

#include <array>
#include <istream>
#include <occ/core/element.h>
#include <occ/core/molecule.h>
#include <occ/core/point_charge.h>
#include <occ/crystal/crystal.h>
#include <occ/io/grid_settings.h>
#include <occ/qm/spinorbital.h>
#include <vector>

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Classes
struct	occ::io::ElectronInput
struct	occ::io::GeometryInput
struct	occ::io::OutputInput
struct	occ::io::DriverInput
struct	occ::io::MethodInput
struct	occ::io::BasisSetInput
struct	occ::io::SolventInput
struct	occ::io::RuntimeInput
struct	occ::io::OptimizationInput
struct	occ::io::DispersionCorrectionInput
struct	occ::io::CrystalInput
struct	occ::io::PairInput
struct	occ::io::IsosurfaceInput
struct	occ::io::OccInput

Namespaces
namespace	occ
namespace	occ::io
	file input and output module including reading wavefunction files

Typedefs
using	occ::io::PointChargeList = std::vector< occ::core::PointCharge >

Functions
template<typename T >
OccInput	occ::io::build (const std::string &filename)
template<typename T >
OccInput	occ::io::build (std::istream &file)