grid_settings.h File Reference

#include <string>

Include dependency graph for grid_settings.h:

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Classes
struct	occ::io::GridSettings
	Extended settings for Becke grid generation. More...

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

Enumerations
enum class	occ::io::PruningScheme { occ::io::None , occ::io::NWChem , occ::io::NumGrid }
	Enumeration of available angular pruning schemes. More...
enum class	occ::io::GridQuality { occ::io::Coarse , occ::io::Standard , occ::io::Fine , occ::io::VeryFine }
	Standard grid quality levels (similar to Q-Chem's SG system) More...

Functions
GridSettings	occ::io::get_grid_settings (GridQuality quality)
	Get grid settings for a specific quality level.
std::string	occ::io::grid_quality_to_string (GridQuality quality)
	Convert GridQuality enum to string.
GridQuality	occ::io::grid_quality_from_string (const std::string &str)
	Convert string to GridQuality enum.