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c_cpp
a month ago
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#include<iostream>
#include<fstream>
#include<cmath>
using namespace std;
int main()
{
	int x_unit = 30;
	int y_unit = 30;
	int z_unit = 0;
	int cubic[x_unit][y_unit]={};
	
	for(int i=0;i<x_unit;i++)
		for(int j=0;j<y_unit;j++)
			cubic[i][j]=1;
			
	int atoms=0;
	int X[x_unit*y_unit]={};
	int Y[x_unit*y_unit]={};
	int Z[x_unit*y_unit]={0};
	for(int i=0;i<x_unit;i++)
	{
		for(int j=0;j<y_unit;j++)
		{
			if(cubic[i][j]==1)
			{
				X[atoms]=i;
				Y[atoms]=j;
				atoms++;
			}
		}
	}
			
	ofstream outputFile("文件輸出用_2.txt");
	outputFile << "LAMMPS data file via write_data, version 23 Jun 2022, timestep = 0" << endl << endl;
	
	outputFile << atoms << " atoms" << endl << "1 atom types" << endl << endl;
	
	outputFile << "0 " << x_unit << " xlo xhi" << endl;
	outputFile << "0 " << y_unit << " ylo yhi" << endl;
	outputFile << "0 " << z_unit << " zlo zhi" << endl << endl;
	outputFile << "Masses" << endl << endl << "1 12.011" << endl << endl;
	outputFile << "Atoms # molecular" << endl << endl;
	
	for(int i=0;i<atoms;i++)
		outputFile << i+1 << " 1 " << X[i] << " " << Y[i] << " " << Z[i] << endl;
	
	outputFile.close();
	
	return 0;
}
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