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tensor-fourindex_dense conversion for nosymmetry

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Jiri Pittner
2025-10-24 11:24:12 +02:00
parent 91d8f4cc46
commit 874c2d5f83
3 changed files with 63 additions and 28 deletions
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20
tensor.h
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@@ -275,11 +275,31 @@ void tensor2fourindex(const Tensor<T> &t, fourindex_dense<S,T,I> &f);
template<typename T, typename I>
Tensor<T> fourindex2tensor(const fourindex_dense<nosymmetry,T,I> &f)
{
NRVec<indexgroup> shape(4);
for(int i=0; i<4; ++i)
{
shape[i].number=1;
shape[i].symmetry-0;
shape[i].offset=0;
shape[i].range=f.nbas();
}
NRVec<T> data(f);
return Tensor<T>(shape,data);
}
template<typename T, typename I>
void tensor2fourindex(const Tensor<T> &t, fourindex_dense<nosymmetry,T,I> &f)
{
if(t.rank()!=4) laerror("wrong rank in tensor2fourindex");
int range=t.shape[0].range;
int offset=t.shape[0].offset;
for(int i=0; i<t.shape.size(); ++i)
{
if(range!=t.shape[i].range) laerror("range mismatch in tensor2fourindex");
if(offset!=t.shape[i].offset) laerror("offset mismatch in tensor2fourindex");
if(0!=t.shape[i].symmetry) laerror("symmetry mismatch in tensor2fourindex");
}
f=fourindex_dense<nosymmetry,T,I>(range,NRMat<T>(t.data,range*range,range*range));
}