Matter.h File Reference

#include "ConFileIO.h"
#include "Eigen.h"
#include "EonLogger.h"
#include "Parameters.h"
#include "Potential.h"
#include "SurrogatePotential.h"
#include <array>
#include <cmath>
#include <cstdint>
#include <memory>
#include <string>
#include <vector>

Go to the source code of this file.

Classes
class	eonc::Matter
class	Matter

Namespaces
namespace	eonc
	RAII resource manager for the ARTn C library with global synchronization.
namespace	eonc::pbc

Enumerations
enum class	eonc::PbcConvention { eonc::Legacy = 0 , eonc::MinimumImage = 1 }

Functions
AtomMatrix	eonc::pbc::apply (const AtomMatrix &diff, const Matrix3d &cell, const Matrix3d &cellInverse)
AtomMatrix	eonc::pbc::applyLegacy (const AtomMatrix &coords, const Matrix3d &cell, const Matrix3d &cellInverse)
AtomMatrix	eonc::pbc::applyPositions (const AtomMatrix &coords, const Matrix3d &cell, const Matrix3d &cellInverse, PbcConvention convention)
VectorXd	eonc::pbc::applyV (const VectorXd &diffVector, const Matrix3d &cell, const Matrix3d &cellInverse)