volume_data.h File Reference

#include <occ/core/linear_algebra.h>
#include <occ/core/atom.h>
#include <unsupported/Eigen/CXX11/Tensor>
#include <string>
#include <vector>
#include <cassert>

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Classes
struct	occ::isosurface::VolumeData
	Clean volumetric data representation using Eigen::Tensor. More...

Namespaces
namespace	occ
namespace	occ::isosurface

Enumerations
enum class	occ::isosurface::VolumePropertyKind {   occ::isosurface::ElectronDensity , occ::isosurface::ElectronDensityAlpha , occ::isosurface::ElectronDensityBeta , occ::isosurface::ElectricPotential ,   occ::isosurface::EEQ_ESP , occ::isosurface::PromoleculeDensity , occ::isosurface::DeformationDensity , occ::isosurface::XCDensity ,   occ::isosurface::CrystalVoid }
enum class	occ::isosurface::SpinConstraint { occ::isosurface::Total , occ::isosurface::Alpha , occ::isosurface::Beta }