moldenwriter.h File Reference

#include <ostream>
#include <string>

Include dependency graph for moldenwriter.h:

Namespaces
namespace	occ
namespace	occ::qm
	quantum mechanics/quantum chemistry functionality including Hartree-Fock and more
namespace	occ::io
	file input and output module including reading wavefunction files

Functions
void	occ::io::write_molden (const occ::qm::Wavefunction &wfn, std::ostream &os)
	Write a wavefunction in Molden format.
void	occ::io::write_molden (const occ::qm::Wavefunction &wfn, const std::string &filename)