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fix sp2n projection

This commit is contained in:
Alessandro Lupo
2021-10-12 12:12:16 +01:00
parent 1d6e708083
commit 283f14b7c1
2 changed files with 181 additions and 74 deletions

View File

@ -161,88 +161,75 @@ accelerator_inline iMatrix<vtype,N> ProjectOnSpGroup(const iMatrix<vtype,N> &arg
iMatrix<vtype,N> ret(arg);
vtype nrm;
vtype inner;
for(int c1=0;c1<N;c1++){
for(int c1=0;c1<N/2;c1++){
// Normalises row c1
zeroit(inner);
for(int c2=0;c2<N;c2++)
inner += innerProduct(ret._internal[c1][c2],ret._internal[c1][c2]);
// Normalises row c1
zeroit(inner);
for(int c2=0;c2<N;c2++)
inner += innerProduct(ret._internal[c1][c2],ret._internal[c1][c2]);
nrm = sqrt(inner);
nrm = 1.0/nrm;
for(int c2=0;c2<N;c2++)
ret._internal[c1][c2]*= nrm;
nrm = sqrt(inner);
nrm = 1.0/nrm;
for(int c2=0;c2<N;c2++)
ret._internal[c1][c2]*= nrm;
// Compute row c1+N2/2: c1+N/2 = - \Omega c1*
for(int c2=0;c2<N/2;c2++)
//tmp = conjugate(ret._internal[c1][c2]);
//ret._internal[c1+N/2][c2+N/2] = tmp;
ret._internal[c1+N/2][c2+N/2] = conjugate(ret._internal[c1][c2]);
// Compute row c1+N2/2: c1+N/2 = - \Omega c1*
for(int c2=0;c2<N/2;c2++)
ret._internal[c1+N/2][c2+N/2] = conjugate(ret._internal[c1][c2]);
for(int c2=N/2;c2<N;c2++)
//tmp = conjugate(ret._internal[c1][c2]);
// ret._internal[c1+N/2][c2-N/2] = -tmp;
ret._internal[c1+N/2][c2-N/2] = -conjugate(ret._internal[c1][c2]);
for(int c2=N/2;c2<N;c2++)
ret._internal[c1+N/2][c2-N/2] = -conjugate(ret._internal[c1][c2]);
// Remove c1 from rows c1+1...N/2-1
for (int b=c1+1; b<N/2; ++b){
decltype(ret._internal[b][b]*ret._internal[b][b]) pr;
zeroit(pr);
for(int c=0; c<N; ++c)
pr += conjugate(ret._internal[c1][c])*ret._internal[b][c];
// Remove c1 from rows c1+1...N/2-1
for (int b=c1+1; b<N/2; ++b){
decltype(ret._internal[b][b]*ret._internal[b][b]) pr;
zeroit(pr);
for(int c=0; c<N; ++c)
pr += conjugate(ret._internal[c1][c])*ret._internal[b][c];
for(int c=0; c<N; ++c){
ret._internal[b][c] -= pr * ret._internal[c1][c];
}
}
// Remove c1+N/2 from rows c1+1...N/2-1
for (int b=c1+1; b<N; ++b){
decltype(ret._internal[b][b]*ret._internal[b][b]) pr;
zeroit(pr);
for(int c=0; c<N; ++c)
pr += conjugate(ret._internal[c1+N/2][c])*ret._internal[b][c];
for(int c=0; c<N; ++c){
ret._internal[b][c] -= pr * ret._internal[c1+N/2][c];
}
}
} //end for loop over c1
// Compute the last row
{
// Normalise last row
int c1 = N/2-1;
zeroit(inner);
for(int c2=0;c2<N;c2++)
{
inner += innerProduct(ret._internal[c1][c2],ret._internal[c1][c2]);
}
nrm = sqrt(inner);
nrm = 1.0/nrm;
for(int c2=0;c2<N;c2++)
{
ret._internal[c1][c2]*= nrm;
}
// Compute row cN-1+N2/2: cN-1+N/2 = - \Omega cN-1*
for(int c2=0;c2<N/2;c2++)
{
//tmp = conjugate(ret._internal[c1][c2]);
// ret._internal[c1+N/2][c2+N/2] = tmp;
ret._internal[c1+N/2][c2+N/2] = conjugate(ret._internal[c1][c2]);
}
for(int c2=N/2;c2<N;c2++)
{
//tmp = conjugate(ret._internal[c1][c2]);
//ret._internal[c1+N/2][c2-N/2] = -tmp;
ret._internal[c1+N/2][c2-N/2] = -conjugate(ret._internal[c1][c2]);
}
for(int c=0; c<N; ++c){
ret._internal[b][c] -= pr * ret._internal[c1][c];
}
// assuming the determinant is ok
return ret;
}
// Remove c1+N/2 from rows c1+1...N/2-1
for (int b=c1+1; b<N; ++b){
decltype(ret._internal[b][b]*ret._internal[b][b]) pr;
zeroit(pr);
for(int c=0; c<N; ++c)
pr += conjugate(ret._internal[c1+N/2][c])*ret._internal[b][c];
for(int c=0; c<N; ++c){
ret._internal[b][c] -= pr * ret._internal[c1+N/2][c];
}
}
}
// Compute the last row
{
// Normalise last row
int c1 = N/2-1;
zeroit(inner);
for(int c2=0;c2<N;c2++)
inner += innerProduct(ret._internal[c1][c2],ret._internal[c1][c2]);
nrm = sqrt(inner);
nrm = 1.0/nrm;
for(int c2=0;c2<N;c2++)
ret._internal[c1][c2]*= nrm;
// Compute row cN-1+N2/2: cN-1+N/2 = - \Omega cN-1*
for(int c2=0;c2<N/2;c2++)
ret._internal[c1+N/2][c2+N/2] = conjugate(ret._internal[c1][c2]);
for(int c2=N/2;c2<N;c2++)
ret._internal[c1+N/2][c2-N/2] = -conjugate(ret._internal[c1][c2]);
}
// assuming the determinant is ok
return ret;
}
NAMESPACE_END(Grid);
#endif