occ
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#include <cstdint>
#include <occ/core/linear_algebra.h>
#include <occ/io/grid_settings.h>
#include <vector>
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... | |