public static void testgeometry(double n) {
double[][] ap = p7(n);
Matrix printer;
printer = new Matrix(ap);
printer.printdata();
Project01.get_distances(ap);
}
public static double[][] p7(double L) {
// start with the diamond, and then add an upside down tetrahedron attached to the top
double A = Math.sqrt(3) / 3 * L;
double B = Math.sqrt(6) / 3 * L;
double[][] atom_positions =
new double[][] {
{-0.5 * A, 0.5 * L, 0}, // triangle 1
{0, 0, -B}, // bottom of diamond
{-A, -0.5 * L, -B}, // lower outcrop
{-0.5 * A, -0.5 * L, 0}, // triangle 3
{0, 0, B}, // top of diamond
{A, 0, B}, // top outcrop
{A, 0, 0} // triangle 2
};
atom_positions =
new double[][] {
{-1.6840236246, 1.0684294406, -0.7116624148},
{0.9085473330, -0.9868619425, -3.0525511272},
{-3.0480218864, -2.1601542407, -2.4227185692},
{-0.0788396616, -2.0510202515, 0.1632678720},
{-0.7874706794, 0.4530580514, 3.0710994550},
{2.7956298090, -1.6506873466, 2.8881018952},
{1.8641787099, 1.1562362891, 0.2244628890}
};
Matrix apm = new Matrix(atom_positions);
return apm.multiply(L).array;
}
public static void testminimize(double n) {
double[][] ap = p7(n);
ap = minimize(ap);
Matrix printer;
printer = new Matrix(ap);
printer.printdata();
Project01.get_distances(ap);
System.out.println(get_potential(ap));
}