class QuantumCalculation.QMAtom
extends javax.vecmath.Point3f
Modifier and Type | Field and Description |
---|---|
(package private) Atom |
atom |
(package private) int |
iMolecule |
(package private) int |
index |
(package private) boolean |
isExcluded |
private float[] |
myX |
private float[] |
myX2 |
private float[] |
myY |
private float[] |
myY2 |
private float[] |
myZ |
private float[] |
myZ2 |
(package private) int |
znuc |
Constructor and Description |
---|
QuantumCalculation.QMAtom(int i,
Atom atom,
float[] X,
float[] Y,
float[] Z,
float[] X2,
float[] Y2,
float[] Z2) |
Modifier and Type | Method and Description |
---|---|
protected void |
setXYZ(boolean setMinMax) |
distance, distanceL1, distanceLinf, distanceSquared, project
absolute, absolute, add, add, clamp, clamp, clampMax, clampMax, clampMin, clampMin, clone, epsilonEquals, equals, equals, get, get, getX, getY, getZ, hashCode, interpolate, interpolate, negate, negate, scale, scale, scaleAdd, scaleAdd, set, set, set, set, setX, setY, setZ, sub, sub, toString
private float[] myX
private float[] myY
private float[] myZ
private float[] myX2
private float[] myY2
private float[] myZ2
Atom atom
int index
int znuc
int iMolecule
boolean isExcluded
QuantumCalculation.QMAtom(int i, Atom atom, float[] X, float[] Y, float[] Z, float[] X2, float[] Y2, float[] Z2)