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grid_types.h File Reference
#include <cstdint>
#include <occ/core/linear_algebra.h>
#include <occ/io/grid_settings.h>
#include <vector>
Include dependency graph for grid_types.h:
This graph shows which files directly or indirectly include this file:

Classes

struct  occ::dft::PartitionMethod
 
struct  occ::dft::RadialGrid
 Structure to hold radial grid data. More...
 
struct  occ::dft::AtomGrid
 Structure to hold atom-centered grid data. More...
 

Namespaces

namespace  occ
 
namespace  occ::dft
 functionality related to Kohn-Sham density functional theory
 

Enumerations

enum class  occ::dft::PartitionFunction { occ::dft::Becke , occ::dft::StratmannScuseria }
 Enumeration of available partition functions for atomic weight calculation. More...
 
enum class  occ::dft::RadialGridMethod {
  occ::dft::LMG , occ::dft::TreutlerAlrichs , occ::dft::MuraKnowles , occ::dft::Becke ,
  occ::dft::GaussChebyshev , occ::dft::EulerMaclaurin
}
 Enumeration of available radial grid generation methods. More...