public interface DensityPoint
Modifier and Type | Interface and Description |
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static class |
DensityPoint.DensityType |
Modifier and Type | Method and Description |
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Coord |
getCurrentCoord()
get the coordinate of the point
|
double |
getDensity()
get the electronic density of this point
|
double |
getGradient()
get the density gradient value at this point
|
Vector |
getGradientVector()
get the density gradient vector at this point
|
Matrix |
getHessian()
get the hessian matrix at this point
|
void |
setDensity(double density)
set the value of density at this point
|
void |
setGradient(double gradient)
set the density gradient value at this point
|
void |
setGradientVector(Vector gradientVector)
set the value of density gradient vector at this point
|
void |
setHessian(Matrix hessian)
set the hessian matrix at this point
|
double getDensity()
Double
void setDensity(double density)
density
- -Double
, electronic density,Vector getGradientVector()
Vector
void setGradientVector(Vector gradientVector)
gradientVector
- , - Vector
Matrix getHessian()
Matrix
void setHessian(Matrix hessian)
hessian
- - Matrix
double getGradient()
Double
void setGradient(double gradient)
gradient
- , -Double