public Graphene(Graphene graphene, int i, double dx, double dy, double dz)
{
this.N = graphene.N;
this.atoms = graphene.atoms;
this.atoms[i].x += dx;
this.atoms[i].y += dy;
this.atoms[i].z += dz;
}
static void Main(string[] args)
{
List <Atom> list = new List <Atom>();
using (StreamReader sr = new StreamReader("input.txt"))
{
string numbers;
while ((numbers = sr.ReadLine()) != null)
{
string[] arr = numbers.Split('\t');
double x = Double.Parse(arr[0]);
double y = Double.Parse(arr[1]);
double z = Double.Parse(arr[2]);
char type = Char.Parse(arr[3]);
Console.WriteLine(x + "\t" + y + "\t" + z + "\t" + type);
list.Add(new Atom(x, y, z, type));
}
}
Graphene graphene = new Graphene(list);
int N = list.Count;
/*Заполнение матрицы соседей*/
int[,] mat = new int[N, 3];
double[] r = new double[N];
for (int i = 0; i < N; i++)
{
int count = 0;
for (int j = 0; j < N; j++)
{
if (Math.Abs(graphene.R(i, j) - d) < f)
{
mat[i, count] = j + 1;
count++;
}
}
}
Console.WriteLine();
for (int i = 0; i < N; i++)
{
Console.Write(i + 1 + "\t");
for (int j = 0; j < 3; j++)
{
Console.Write(mat[i, j] + "\t");
}
Console.WriteLine();
}
/*Запись файла*/
using (StreamWriter sw = new StreamWriter("output.txt"))
{
for (int i = 0; i < N; i++)
{
for (int j = 0; j < 3; j++)
{
sw.Write(mat[i, j] + " ");
}
}
}
/*Подсчет потенциала*/
double E = 0;
E += graphene.Energy1();
Console.WriteLine("E = " + E);
E += graphene.Energy2(mat);
Console.WriteLine("E = " + E);
/*
* Graphene graphene1 = new Graphene(graphene, 0, dx, 0, 0);
* double E1 = 0;
* E1 += graphene1.Energy1();
* Console.WriteLine("E1 = " + E1);
* E1 += graphene1.Energy2(mat);
* Console.WriteLine("E1 = " + E1);
* double f1 = (E - E1) / dx;
* Console.WriteLine("f1 = " + f1);*/
double[] f1 = new double[] { -2, -1, 0, 1, 3, 4 };
double[] E1 = new double[] { 3, 1, 1, 0, -1, -3 };
Console.WriteLine("k = " + OLS(f1, E1));
Console.ReadLine();
}
