JDFTx  1.7.0
SpeciesInfo::Constraint Struct Reference

Contains the information on the constraints of motion for each ion. More...

#include <SpeciesInfo.h>

Public Types

enum  ConstraintType { None , Linear , Planar , HyperPlane }
 

Public Member Functions

vector3 operator() (const vector3<> &grad) const
 
bool isEquivalent (const Constraint &otherConstraint, const matrix3<> &transform) const
 
int getDimension () const
 
void print (FILE *fp, const Everything &) const
 

Public Attributes

double moveScale
 preconditioning factor (0 fixes ion)
 
vector3 d
 The direction or plane normal of the constraint (in cartesian coordinates)
 
enum SpeciesInfo::Constraint::ConstraintType type
 Type of the constraint that is being applied to the ion.
 
std::vector< std::pair< vector3<>, string > > hyperplane
 list of d and group labels for hyperplanes
 

Detailed Description

Contains the information on the constraints of motion for each ion.


The documentation for this struct was generated from the following file: