丁二烯Hubbard模型的计算程序

因为没有给定参数，所以参数t和u全都用字符串代替，而且之后的解矩阵运算也没办法进行。

如果给定参数而不是用字符串表示，那么整个程序的效率会更高，而且之后可以继续写具体的矩阵运算过程。

#include <iostream>
#include <bitset>
#include <string>
#include <fstream>

using namespace std;

const int atoms = 4;
const int configurations = (atoms * (atoms - 1)) * (atoms * (atoms - 1)) / 4;

bitset<2 * atoms> waves[configurations];

int main()
{
	//定义输出文件
	//组态数据
	ofstream configwaves("configurations.out", ofstream::out | ofstream::trunc);
	//矩阵元数据
	ofstream matrix("Hamiltonian.out", ofstream::out | ofstream::trunc);
	
	//组态计算
	configwaves << "atoms = " << atoms << endl;
	configwaves << "configurations = " << configurations << endl;
	configwaves << "-----------------------------------------" << endl;
	
	//定义必要的变量
	int index = 0;
	bitset<2 * atoms> iwave;
	
	//生成Sz=0的所有组态
	//注意bitset输出之后是从后向前读的 
	for(int alpha_i = 0; alpha_i != 2 * (atoms - 1); alpha_i += 2) {
		iwave.set(alpha_i);
		for(int alpha_j = alpha_i + 2; alpha_j != 2 * atoms; alpha_j += 2) {
			iwave.set(alpha_j);
			for(int beta_i = 0; beta_i != 2 * (atoms - 1); beta_i += 2) {
			 	iwave.set(beta_i + 1);
			 	for(int beta_j = beta_i + 2; beta_j != 2 * atoms; beta_j += 2) {
			 		iwave.set(beta_j + 1);
			 		waves[index] = iwave;
			 		//为了可读性，输出便于阅读的组态
			 		configwaves << "index = " << index << endl; 
			 		if(alpha_i <= beta_i) {