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pub mod sparse_model{
use crate::{Model,Model_sparse};
use gnuplot::Major;
use num_complex::Complex;
use ndarray::linalg::kron;
use ndarray::*;
use ndarray::prelude::*;
use ndarray::concatenate;
use ndarray_linalg::*;
use std::f64::consts::PI;
use ndarray_linalg::{Eigh, UPLO};
use ndarray_linalg::conjugate;
use rayon::prelude::*;
use std::io::Write;
use std::fs::File;
use std::ops::AddAssign;
use std::ops::MulAssign;
#[derive(Clone,Debug)]
struct hop_element{
R:[isize;3],
orb_i:usize,
orb_j:usize,
hop:Complex<f64>,
rmatrix:Option<[Complex<f64>;3]>
}
impl Model_sparse<hop_element>{
pub fn from_Model(model:Model)->Model_sparse<hop_element>{
let mut ham_sparse=Vec::new();
if model.rmatrix.len_of(Axis(1))!=1{
for (r,(hamR,(ham,rmatrix))) in model.hamR.outer_iter().zip(model.ham.outer_iter().zip(model.rmatrix.outer_iter())).enumerate(){
let mut R=[0;3];
for i in 0..model.dim_r{
R[i]=hamR[[i]];
}
//构造稀疏矩阵的哈密顿量
for i in 0..model.nsta{
for j in 0..model.nsta{
let mut hop_rmatrix=[Complex::new(0.0,0.0);3];
hop_rmatrix[0]=rmatrix[[0,i,j]];
hop_rmatrix[1]=rmatrix[[1,i,j]];
hop_rmatrix[2]=rmatrix[[2,i,j]];
if ham[[i,j]].norm() < 1e-6{
let mut R=[0;3];
for dim in 0..model.dim_r{
R[dim]=hamR[[dim]];
}
let hopping=hop_element{
R,
orb_i:i,
orb_j:j,
hop:ham[[i,j]],
rmatrix:Some(hop_rmatrix),
};
ham_sparse.push(hopping);
}else{
continue
}
}
}
}
}else{
for (r,(hamR,ham)) in model.hamR.outer_iter().zip(model.ham.outer_iter()).enumerate(){
let mut R=[0;3];
for i in 0..model.dim_r{
R[i]=hamR[[i]];
}
//构造稀疏矩阵的哈密顿量
for i in 0..model.nsta{
for j in 0..model.nsta{
if ham[[i,j]].norm() < 1e-6{
let mut R=[0;3];
for dim in 0..model.dim_r{
R[dim]=hamR[[dim]];
}
let hopping=hop_element{
R,
orb_i:i,
orb_j:j,
hop:ham[[i,j]],
rmatrix:None,
};
ham_sparse.push(hopping);
}else{
continue
}
}
}
}
}
Model_sparse{
dim_r:model.dim_r,
norb:model.norb,
nsta:model.nsta,
natom:model.natom,
lat:model.lat,
orb:model.orb,
spin:model.spin,
atom:model.atom,
atom_list:model.atom_list,
ham:ham_sparse,
}
}
}
}