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Correct class label ordering
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mjw99 committed Oct 3, 2024
1 parent 7f4380b commit f8044e5
Showing 1 changed file with 9 additions and 9 deletions.
18 changes: 9 additions & 9 deletions src/test/java/name/mjw/jquante/test/Fixtures.java
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@

public class Fixtures {

static public Molecule getWater() {
public static Molecule getWater() {
Atom O = new Atom("O", new Vector3D(0.0000000, 0.000000, 0.119748));
Atom H1 = new Atom("H", new Vector3D(0.00000000, 0.761561, -0.478993));
Atom H2 = new Atom("H", new Vector3D(0.00000000, -0.761561, -0.478993));
Expand All @@ -23,7 +23,7 @@ static public Molecule getWater() {
return water;
}

static public Molecule getHydrogen() {
public static Molecule getHydrogen() {

Atom H1 = new Atom("H", new Vector3D(0.00000000, 0.00000000, 0.00000000));
Atom H2 = new Atom("H", new Vector3D(0.74000000, 0.00000000, 0.00000000));
Expand All @@ -35,7 +35,7 @@ static public Molecule getHydrogen() {
return hydrogen;
}

static public Molecule getHydrogenFluoride() {
public static Molecule getHydrogenFluoride() {
// Create molecule
Atom H = new Atom("H", new Vector3D(0.00000000, 0.00000000, 0.00000000));
Atom F = new Atom("F", new Vector3D(0.91700000, 0.00000000, 0.00000000));
Expand All @@ -48,7 +48,7 @@ static public Molecule getHydrogenFluoride() {

}

static public Molecule getBenzene() {
public static Molecule getBenzene() {
Atom C1 = new Atom("C", new Vector3D( 0.000, 1.396, 0.000));
Atom C2 = new Atom("C", new Vector3D( 1.209, 0.698, 0.000));
Atom C3 = new Atom("C", new Vector3D( 1.209, -0.698, 0.000));
Expand Down Expand Up @@ -83,39 +83,39 @@ static public Molecule getBenzene() {
}


static public ContractedGaussian getCgtoS0() {
public static ContractedGaussian getCgtoS0() {
ContractedGaussian cgtoS0 = new ContractedGaussian(new Vector3D(0, 0, 0), new Power(0, 0, 0));
cgtoS0.addPrimitive(1.0, 1.0);
cgtoS0.normalize();

return cgtoS0;
}

static public ContractedGaussian getCgtoS1() {
public static ContractedGaussian getCgtoS1() {
ContractedGaussian cgtoS1 = new ContractedGaussian(new Vector3D(0, 0, 1), new Power(0, 0, 0));
cgtoS1.addPrimitive(1.0, 1.0);
cgtoS1.normalize();

return cgtoS1;
}

static public ContractedGaussian getCgtoP0() {
public static ContractedGaussian getCgtoP0() {
ContractedGaussian cgtoP0 = new ContractedGaussian(new Vector3D(0, 0, 0), new Power(1, 0, 0));
cgtoP0.addPrimitive(1.0, 1.0);
cgtoP0.normalize();

return cgtoP0;
}

static public ContractedGaussian getCgtoD0() {
public static ContractedGaussian getCgtoD0() {
ContractedGaussian cgtoD0 = new ContractedGaussian(new Vector3D(0, 0, 0), new Power(2, 0, 0));
cgtoD0.addPrimitive(1.0, 1.0);
cgtoD0.normalize();

return cgtoD0;
}

static public ContractedGaussian getCgtoF0() {
public static ContractedGaussian getCgtoF0() {
ContractedGaussian cgtoF0 = new ContractedGaussian(new Vector3D(0, 0, 0), new Power(3, 0, 0));
cgtoF0.addPrimitive(1.0, 1.0);
cgtoF0.normalize();
Expand Down

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