xyz.h File Reference

#include <array>
#include <istream>
#include <occ/core/element.h>
#include <occ/core/molecule.h>

Include dependency graph for xyz.h:

Classes
struct	occ::io::XyzFileReader

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

Functions
occ::core::Molecule	occ::io::molecule_from_xyz_file (const std::string &)
occ::core::Molecule	occ::io::molecule_from_xyz_string (const std::string &)
std::string	occ::io::to_xyz_string (const occ::core::Molecule &molecule)
std::string	occ::io::to_xyz_string (const occ::core::Molecule &molecule, const std::string &comment)