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IonInfo.h File Reference
#include <electronic/SpeciesInfo.h>
#include <electronic/IonicMinimizer.h>
#include <core/matrix.h>
#include <core/ScalarField.h>
#include <core/Thread.h>

Classes

class  IonInfo
 Container class for ionic system: collection of species, each with several atoms. More...
 

Enumerations

enum  CoordsType { CoordsLattice, CoordsCartesian }
 Coordinate system for ion positions.
 
enum  ForcesOutputCoords { ForcesCoordsPositions, ForcesCoordsLattice, ForcesCoordsCartesian, ForcesCoordsContravariant }
 Coordinate system for force output:
 
enum  coreOverlapCheck { additive, vector, none }
 Check method used for determining whether pseudopotential cores overlap.
 

Detailed Description

Class IonInfo and related definitions