int main () {
// Define symmetric matrix
PLMD::Matrix<double> mat1(3,3); PLMD::OFile out; out.open("output");
mat1(0,0)=1.0; mat1(0,1)=0.2; mat1(0,2)=0.3;
mat1(1,0)=0.2; mat1(1,1)=0.2; mat1(1,2)=0.6;
mat1(2,0)=0.3; mat1(2,1)=0.6; mat1(2,2)=0.4;
// Test diagonalize
std::vector<double> eigval(3); PLMD::Matrix<double> eigvec(3,3);
diagMat( mat1, eigval, eigvec );
out<<"Eigenvalues "<<eigval[0]<<" "<<eigval[1]<<" "<<eigval[2]<<"\n";
out<<"Eigenvectors : \n";
for(unsigned i=0;i<3;++i){
out<<eigvec(i,0)<<" "<<eigvec(i,1)<<" "<<eigvec(i,2)<<"\n";
}
// Test inverse
out<<"Inverse : \n";
PLMD::Matrix<double> inverse(3,3); Invert( mat1, inverse );
for(unsigned i=0;i<3;++i){
for(unsigned j=0;j<3;++j) out<<inverse(i,j)<<" ";
out<<"\n";
}
// Test pseudoinverse
out<<"Pseudoinverse : \n";
PLMD::Matrix<double> mat(3,2);
mat(0,0)=0.1; mat(0,1)=0.2;
mat(1,0)=0.3; mat(1,1)=0.5;
mat(2,0)=0.4; mat(2,1)=0.6;
PLMD::Matrix<double> pseu(2,3);
pseudoInvert( mat, pseu );
for(unsigned i=0;i<pseu.nrows();++i){
for(unsigned j=0;j<pseu.ncols();++j) out<<" "<<pseu(i,j);
out<<"\n";
}
out.close();
return 0;
}
void FileBase::test(){
PLMD::OFile pof;
pof.open("ciao");
pof.printf("%s\n","test1");
pof.setLinePrefix("plumed: ");
pof.printf("%s\n","test2");
pof.setLinePrefix("");
pof.addConstantField("x2").printField("x2",67.0);
pof.printField("x1",10.0).printField("x3",20.12345678901234567890).printField();
pof.printField("x1",10.0).printField("x3",-1e70*20.12345678901234567890).printField();
pof.printField("x3",10.0).printField("x2",777.0).printField("x1",-1e70*20.12345678901234567890).printField();
pof.printField("x3",67.0).printField("x1",18.0).printField();
pof.close();
PLMD::IFile pif;
std::string s;
pif.open("ciao");
pif.getline(s); std::printf("%s\n",s.c_str());
pif.getline(s); std::printf("%s\n",s.c_str());
int x1,x2,x3;
while(pif.scanField("x1",x1).scanField("x3",x2).scanField("x2",x3).scanField()){
std::cout<<"CHECK "<<x1<<" "<<x2<<" "<<x3<<"\n";
}
pif.close();
}