mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 03:33:50 +01:00
71 lines
2.5 KiB
ReStructuredText
71 lines
2.5 KiB
ReStructuredText
Cookbook
|
|
========
|
|
|
|
Basics
|
|
------
|
|
|
|
Here, an exemple of creation of a class det_manip, of use of insert and remove.
|
|
|
|
.. compileblock::
|
|
|
|
#include <triqs/det_manip/det_manip.hpp>
|
|
|
|
struct fun {
|
|
|
|
typedef double result_type;
|
|
typedef double argument_type;
|
|
|
|
//gives the coefficients of the matrix
|
|
double operator()(double x, double y) const {
|
|
return(x-y);
|
|
}
|
|
};
|
|
|
|
int main() {
|
|
|
|
//creation of the class det_manip
|
|
fun f;
|
|
int init_size=100;
|
|
triqs::det_manip::det_manip<fun> D(f,init_size);
|
|
//the initial matrix is empty:
|
|
std::cout<<std::endl<<"After construction: D.matrix()="<<D.matrix()<<std::endl<<std::endl;
|
|
|
|
double detratio;
|
|
//insertion of a line and a column at position (1,1) in the matrix, with x[i]=x, y[j]=y.
|
|
double x=2, y=9;
|
|
int i=0, j=0;
|
|
detratio = D.try_insert(i,j,x,y);
|
|
D.complete_operation();
|
|
std::cout<<"We add a line and a column for i="<<i<<", j="<<j<<", x="<<x<<", y="<<y<<" (f(x,y)="<<f(x,y)<<")."<<std::endl;
|
|
std::cout<<"D.matrix()="<<D.matrix()<<std::endl<<std::endl;
|
|
|
|
x=3; y=4; i=0; j=0;
|
|
detratio = D.try_insert(i,j,x,y);
|
|
D.complete_operation();
|
|
std::cout<<"We add a line and a column for i="<<i<<", j="<<j<<", x="<<x<<", y="<<y<<" (f(x,y)="<<f(x,y)<<")."<<std::endl;
|
|
std::cout<<"D.matrix()="<<D.matrix()<<std::endl;
|
|
std::cout<<"The determinant is "<<D.determinant()<<std::endl;
|
|
std::cout<<"The inverse matrix is"<<D.inverse_matrix()<< std::endl<<std::endl;
|
|
|
|
x=-7; y=1; i=1; j=2;
|
|
detratio = D.try_insert(i,j,x,y);
|
|
D.complete_operation();
|
|
std::cout<<"We add a line and a column for i="<<i<<", j="<<j<<", x="<<x<<", y="<<y<<" (f(x,y)="<<f(x,y)<<")."<<std::endl;
|
|
std::cout<<"D.matrix()="<<D.matrix()<<std::endl<<std::endl;
|
|
std::cout<<"The size of the matrix is now "<<D.size()<<std::endl;
|
|
std::cout<<"The value of the parameters for coefficient (i,j)=(0,2) is (x,y)=("<<D.get_x(0)<<","<<D.get_y(2)<<") (f("<<D.get_x(0)<<","<<D.get_y(2)<<")="<<f(D.get_x(0),D.get_y(2))<<")."<<std::endl<<std::endl;
|
|
|
|
i=0; j=1;
|
|
detratio = D.try_remove(i,j);
|
|
D.complete_operation();
|
|
std::cout<<"We remove a line and a column for i="<<i<<", j="<<j<<"."<<std::endl;
|
|
std::cout<<"D.matrix()="<<D.matrix()<<std::endl;
|
|
std::cout<<"The determinant is "<<D.determinant()<<std::endl;
|
|
std::cout<<"The inverse matrix is"<<D.inverse_matrix()<< std::endl<<std::endl;
|
|
}
|
|
|
|
|
|
|
|
|
|
|