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tensor: innercontraction implemented

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Jiri Pittner
2025-11-11 17:37:28 +01:00
parent 32242f18ed
commit 98ef46ad47
5 changed files with 322 additions and 165 deletions
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140
tensor.cc
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@@ -33,7 +33,7 @@ int Tensor<T>:: calcrank()
int r=0;
for(int i=0; i<shape.size(); ++i)
{
const indexgroup *sh = &(* const_cast<const NRVec<indexgroup> *>(&shape))[i];
const INDEXGROUP *sh = &(* const_cast<const NRVec<INDEXGROUP> *>(&shape))[i];
if(sh->number<=0) laerror("empty index group"); //scalar must have shape.size()==0, not empty index group
r+=sh->number;
}
@@ -52,7 +52,7 @@ cumsizes.resize(shape.size());
LA_largeindex s=1;
for(int i=0; i<shape.size(); ++i)
{
const indexgroup *sh = &(* const_cast<const NRVec<indexgroup> *>(&shape))[i];
const INDEXGROUP *sh = &(* const_cast<const NRVec<INDEXGROUP> *>(&shape))[i];
if(sh->number==0) laerror("empty index group");
if(sh->range==0) return 0;
cumsizes[i]=s;
@@ -396,7 +396,7 @@ template<typename T>
void loopingroups(Tensor<T> &t, int ngroup, int igroup, T **p, SUPERINDEX &I, void (*callback)(const SUPERINDEX &, T *))
{
LA_index istart,iend;
const indexgroup *sh = &(* const_cast<const NRVec<indexgroup> *>(&t.shape))[ngroup];
const INDEXGROUP *sh = &(* const_cast<const NRVec<INDEXGROUP> *>(&t.shape))[ngroup];
switch(sh->symmetry)
{
case 0:
@@ -431,7 +431,7 @@ for(LA_index i = istart; i<=iend; ++i)
if(newigroup<0)
{
--newngroup;
const indexgroup *sh2 = &(* const_cast<const NRVec<indexgroup> *>(&t.shape))[newngroup];
const INDEXGROUP *sh2 = &(* const_cast<const NRVec<INDEXGROUP> *>(&t.shape))[newngroup];
newigroup=sh2->number-1;
}
loopingroups(t,newngroup,newigroup,p,I,callback);
@@ -446,13 +446,13 @@ void Tensor<T>::loopover(void (*callback)(const SUPERINDEX &, T *))
SUPERINDEX I(shape.size());
for(int i=0; i<I.size(); ++i)
{
const indexgroup *sh = &(* const_cast<const NRVec<indexgroup> *>(&shape))[i];
const INDEXGROUP *sh = &(* const_cast<const NRVec<INDEXGROUP> *>(&shape))[i];
I[i].resize(sh->number);
I[i] = sh->offset;
}
T *pp=&data[0];
int ss=shape.size()-1;
const indexgroup *sh = &(* const_cast<const NRVec<indexgroup> *>(&shape))[ss];
const INDEXGROUP *sh = &(* const_cast<const NRVec<INDEXGROUP> *>(&shape))[ss];
loopingroups(*this,ss,sh->number-1,&pp,I,callback);
}
@@ -461,7 +461,7 @@ template<typename T>
void constloopingroups(const Tensor<T> &t, int ngroup, int igroup, const T **p, SUPERINDEX &I, void (*callback)(const SUPERINDEX &, const T *))
{
LA_index istart,iend;
const indexgroup *sh = &t.shape[ngroup];
const INDEXGROUP *sh = &t.shape[ngroup];
switch(sh->symmetry)
{
case 0:
@@ -496,7 +496,7 @@ for(LA_index i = istart; i<=iend; ++i)
if(newigroup<0)
{
--newngroup;
const indexgroup *sh2 = &(* const_cast<const NRVec<indexgroup> *>(&t.shape))[newngroup];
const INDEXGROUP *sh2 = &(* const_cast<const NRVec<INDEXGROUP> *>(&t.shape))[newngroup];
newigroup=sh2->number-1;
}
constloopingroups(t,newngroup,newigroup,p,I,callback);
@@ -511,13 +511,13 @@ void Tensor<T>::constloopover(void (*callback)(const SUPERINDEX &, const T *)) c
SUPERINDEX I(shape.size());
for(int i=0; i<I.size(); ++i)
{
const indexgroup *sh = &shape[i];
const INDEXGROUP *sh = &shape[i];
I[i].resize(sh->number);
I[i] = sh->offset;
}
const T *pp=&data[0];
int ss=shape.size()-1;
const indexgroup *sh = &shape[ss];
const INDEXGROUP *sh = &shape[ss];
constloopingroups(*this,ss,sh->number-1,&pp,I,callback);
}
@@ -664,7 +664,7 @@ help_t<T>->data[target] = *v;
//permutation of individual indices from permutation of index groups
NRPerm<int> group2flat_perm(const NRVec<indexgroup> &shape, const NRPerm<int> &p)
NRPerm<int> group2flat_perm(const NRVec<INDEXGROUP> &shape, const NRPerm<int> &p)
{
int rank=0;
for(int i=0; i<shape.size(); ++i) rank+=shape[i].number;
@@ -686,7 +686,7 @@ template<typename T>
Tensor<T> Tensor<T>::permute_index_groups(const NRPerm<int> &p) const
{
//std::cout <<"permute_index_groups permutation = "<<p<<std::endl;
NRVec<indexgroup> newshape=shape.permuted(p,true);
NRVec<INDEXGROUP> newshape=shape.permuted(p,true);
//std::cout <<"permute_index_groups newshape = "<<newshape<<std::endl;
Tensor<T> r(newshape);
if(is_named())
@@ -718,10 +718,10 @@ for(int i=0; i<I.size(); ++i)
return J;
}
int flatposition(const INDEX &i, const NRVec<indexgroup> &shape)
int flatposition(const INDEX &i, const NRVec<INDEXGROUP> &shape)
{return flatposition(i.group,i.index,shape);}
int flatposition(int group, int index, const NRVec<indexgroup> &shape)
int flatposition(int group, int index, const NRVec<INDEXGROUP> &shape)
{
int ii=0;
for(int g=0; g<group; ++g) ii+= shape[g].number;
@@ -729,7 +729,7 @@ ii += index;
return ii;
}
INDEX indexposition(int flatindex, const NRVec<indexgroup> &shape)
INDEX indexposition(int flatindex, const NRVec<INDEXGROUP> &shape)
{
INDEX I={0,0};
if(flatindex<0) laerror("illegal index in indexposition");
@@ -792,7 +792,7 @@ if(group==0 && index==0 && shape[0].symmetry==0) //formal split of 1 index witho
if(shape[group].number==1) return unwind_index_group(group); //single index in the group
//general case - recalculate the shape and allocate the new tensor
NRVec<indexgroup> newshape(shape.size()+1);
NRVec<INDEXGROUP> newshape(shape.size()+1);
newshape[0].number=1;
newshape[0].symmetry=0;
newshape[0].range=shape[group].range;
@@ -914,7 +914,7 @@ if(group<0) newsize=rank();
else newsize=shape.size()+shape[group].number-1;
//build new shape
NRVec<indexgroup> newshape(newsize);
NRVec<INDEXGROUP> newshape(newsize);
int gg=0;
for(int g=0; g<shape.size(); ++g)
{
@@ -1000,9 +1000,9 @@ if(sologroups)
//general case - recalculate the shape and allocate the new tensor
NRVec<indexgroup> oldshape(shape);
NRVec<INDEXGROUP> oldshape(shape);
oldshape.copyonwrite();
NRVec<indexgroup> newshape(shape.size()+nonsolo);
NRVec<INDEXGROUP> newshape(shape.size()+nonsolo);
//first the unwound indices as solo groups
for(int i=0; i<il.size(); ++i)
@@ -1122,7 +1122,7 @@ if(rhs1.shape[group].upperindex ^ rhs.shape[rhsgroup].upperindex == false) laerr
const Tensor<T> u = conjugate1? (rhs1.unwind_index_group(group)).conjugate() : rhs1.unwind_index_group(group);
const Tensor<T> rhsu = rhs.unwind_index_group(rhsgroup);
NRVec<indexgroup> newshape(u.shape.size()+rhsu.shape.size()-2);
NRVec<INDEXGROUP> newshape(u.shape.size()+rhsu.shape.size()-2);
int ii=0;
for(int i=1; i<rhsu.shape.size(); ++i) newshape[ii++] = rhsu.shape[i];
for(int i=1; i<u.shape.size(); ++i) newshape[ii++] = u.shape[i]; //this tensor will have more significant indices than the rhs one
@@ -1189,7 +1189,7 @@ const Tensor<T> u = conjugate1? (rhs1.unwind_index(group,index)).conjugate() : r
const Tensor<T> rhsu = rhs.unwind_index(rhsgroup,rhsindex);
NRVec<indexgroup> newshape(u.shape.size()+rhsu.shape.size()-2);
NRVec<INDEXGROUP> newshape(u.shape.size()+rhsu.shape.size()-2);
int ii=0;
for(int i=1; i<rhsu.shape.size(); ++i) newshape[ii++] = rhsu.shape[i];
for(int i=1; i<u.shape.size(); ++i) newshape[ii++] = u.shape[i]; //this tensor will have more significant indices than the rhs one
@@ -1230,8 +1230,14 @@ auxmatmult<T>(nn,mm,kk,&data[0],&u.data[0], &rhsu.data[0],alpha,beta,conjugate);
template<typename T>
void Tensor<T>::addcontractions(const Tensor &rhs1, const INDEXLIST &il1, const Tensor &rhs2, const INDEXLIST &il2, T alpha, T beta, bool doresize, bool conjugate1, bool conjugate2)
{
if(il1.size()==0) laerror("empty contraction - outer product not implemented");
if(il1.size()!=il2.size()) laerror("mismatch in index lists in addcontractions");
if(il1.size()==0) //add just outer product
{
if(beta!=(T)0) *this *= beta; else this->clear();
*this += (conjugate1?rhs1.conjugate():rhs1) * (conjugate2?rhs2.conjugate():rhs2) * alpha;
return;
}
for(int i=0; i<il1.size(); ++i)
{
if(il1[i].group<0||il1[i].group>=rhs1.shape.size()) laerror("wrong group1 number in contractions");
@@ -1250,7 +1256,7 @@ const Tensor<T> u = conjugate1? (rhs1.unwind_indices(il1)).conjugateme() : rhs1.
const Tensor<T> rhsu = rhs2.unwind_indices(il2);
NRVec<indexgroup> newshape(u.shape.size()+rhsu.shape.size()-2*il1.size());
NRVec<INDEXGROUP> newshape(u.shape.size()+rhsu.shape.size()-2*il1.size());
int ii=0;
for(int i=il1.size(); i<rhsu.shape.size(); ++i) newshape[ii++] = rhsu.shape[i];
for(int i=il1.size(); i<u.shape.size(); ++i) newshape[ii++] = u.shape[i]; //this tensor will have more significant indices than the rhs one
@@ -1295,6 +1301,78 @@ auxmatmult<T>(nn,mm,kk,&data[0],&u.data[0], &rhsu.data[0],alpha,beta,conjugate2)
}
int help_tdim;
const SUPERINDEX *help_dummyindex;
template<typename T>
static void innercontraction_callback(const SUPERINDEX &I, T *r)
{
//compute address like in operarator() but we need true address
//this could be done more efficiently if needed, avoiding explicit SUPERINDEX J
SUPERINDEX J = help_dummyindex->concat(I);
int sign;
LA_largeindex ii=help_tt<T>->index(&sign,J);
if(sign<0) laerror("internal error in innercontraction");
const T *matrix00 = &help_tt<T>->data[ii];
*r = 0;
for(int i=0; i<help_tdim; ++i) *r += matrix00[i*help_tdim+i]; //trace
}
template<typename T>
Tensor<T> Tensor<T>::innercontraction(const INDEXLIST &il1, const INDEXLIST &il2) const
{
if(il1.size()!=il2.size()) laerror("mismatch in index lists in innercontraction");
if(il1.size()==0) return *this;
for(int i=0; i<il1.size(); ++i)
{
if(il1[i].group<0||il1[i].group>=shape.size()) laerror("wrong group1 number in innercontraction");
if(il2[i].group<0||il2[i].group>=shape.size()) laerror("wrong group2 number in innercontraction");
if(il1[i].index<0||il1[i].index>=shape[il1[i].group].number) laerror("wrong index1 number in innerconntraction");
if(il2[i].index<0||il2[i].index>=shape[il2[i].group].number) laerror("wrong index2 number in innerconntraction");
if(shape[il1[i].group].offset != shape[il2[i].group].offset) laerror("incompatible index offset in innercontraction");
if(shape[il1[i].group].range != shape[il2[i].group].range) laerror("incompatible index range in innercontraction");
#ifdef LA_TENSOR_INDEXPOSITION
if(shape[il1[i].group].upperindex ^ shape[il2[i].group].upperindex == false) laerror("can contact only upper with lower index");
#endif
for(int j=0; j<i; ++j) if(il1[i]==il1[j]||il2[i]==il2[j]) laerror("repeated index in the innercontraction list");
for(int j=0; j<il1.size(); ++j) if(il1[i]==il2[j]) laerror("repeated index between the innercontraction lists");
}
INDEXLIST il=il1.concat(il2);
const Tensor u = unwind_indices(il);
int tracedim = u.cumsizes[il1.size()];
//std::cout <<"trace dim = "<<tracedim<<" unwound shape = "<<u.shape<<std::endl;
if(il.size()>(u.shape).size()) laerror("larger innercontraction index list than tensor rank");
if(il.size()==(u.shape).size()) //result is scalar
{
T s=0;
for(int i=0; i<tracedim; ++i) s += u.data[i*tracedim+i]; //trace
return Tensor<T>(s);
}
//result is tensor
NRVec<INDEXGROUP> newshape = (u.shape).subvector(il.size(),(u.shape).size()-1);
//std::cout <<"new shape = "<<newshape<<std::endl;
Tensor r(newshape);
if(u.is_named()) r.names=(u.names).subvector(il.size(),(u.shape).size()-1);
//loop over result's elements and do matrix trace
help_tt<T> = &u;
help_tdim = tracedim;
SUPERINDEX dummyindex(il.size());
for(int i=0; i<il.size(); ++i)
{
dummyindex[i].resize(1);
dummyindex[i][0]=u.shape[i].offset;
}
help_dummyindex = &dummyindex;
r.loopover(innercontraction_callback);
return r;
}
template<typename T>
@@ -1387,12 +1465,12 @@ loopover(permutationalgebra_callback2);
template<typename T>
void Tensor<T>::split_index_group(int group)
{
const indexgroup *sh = &(* const_cast<const NRVec<indexgroup> *>(&shape))[0];
const INDEXGROUP *sh = &(* const_cast<const NRVec<INDEXGROUP> *>(&shape))[0];
if(group<0||group >= shape.size()) laerror("illegal index group number");
if(sh[group].number==1) return; //nothing to split
if(sh[group].symmetry!=0) laerror("only non-symmetric index group can be splitted, use flatten instead");
NRVec<indexgroup> newshape(shape.size()+sh[group].number-1);
NRVec<INDEXGROUP> newshape(shape.size()+sh[group].number-1);
int gg=0;
for(int g=0; g<shape.size(); ++g)
{
@@ -1422,7 +1500,7 @@ if(group<0||group >= shape.size()) laerror("illegal index group number");
if(shape[group].number==1) return; //nothing to split
if(shape[group].symmetry!=0) laerror("only non-symmetric index group can be splitted, use flatten instead");
NRVec<indexgroup> newshape(shape.size()+1);
NRVec<INDEXGROUP> newshape(shape.size()+1);
int gg=0;
for(int g=0; g<shape.size(); ++g)
{
@@ -1462,7 +1540,7 @@ for(int g=groupfrom; g<=groupto; ++g)
newnumber += shape[g].number;
}
NRVec<indexgroup> newshape(shape.size()-(groupto-groupfrom+1)+1);
NRVec<INDEXGROUP> newshape(shape.size()-(groupto-groupfrom+1)+1);
for(int g=0; g<=groupfrom; ++g) newshape[g]=shape[g];
newshape[groupfrom].number=newnumber;
for(int g=groupfrom+1; g<newshape.size(); ++g) newshape[g]=shape[g+groupto-groupfrom];
@@ -1544,7 +1622,7 @@ for(int i=0; i<r; ++i)
{
INDEX I=indexposition(i,shape);
NRMat<T> um;
NRVec<indexgroup> ushape;
NRVec<INDEXGROUP> ushape;
{
Tensor<T> uu=unwind_index(I);
ushape=uu.shape; //ushape.copyonwrite(); should not be needed
@@ -1682,7 +1760,7 @@ if(samegroup && isordered && il.size()==shape[il[0].group].number) return unwind
//calculate new shape and flat index permutation
NRVec<indexgroup> workshape(shape);
NRVec<INDEXGROUP> workshape(shape);
workshape.copyonwrite();
NRPerm<int> basicperm(rank());
@@ -1698,7 +1776,7 @@ for(int i=0; i<il.size(); ++i)
int newshapesize=1; //newly created group
for(int i=0; i<workshape.size(); ++i) if(workshape[i].number>0) ++newshapesize; //this group survived index removal
NRVec<indexgroup> newshape(newshapesize);
NRVec<INDEXGROUP> newshape(newshapesize);
newshape[0].number=il.size();
newshape[0].symmetry=sym;
newshape[0].offset=shape[il[0].group].offset;
@@ -1753,7 +1831,7 @@ return r;
template<typename T>
void Tensor<T>::canonicalize_shape()
{
const indexgroup *sh = &(* const_cast<const NRVec<indexgroup> *>(&shape))[0];
const INDEXGROUP *sh = &(* const_cast<const NRVec<INDEXGROUP> *>(&shape))[0];
for(int i=0; i<shape.size(); ++i)
{
if(sh[i].number==1 && sh[i].symmetry!=0) {shape.copyonwrite(); shape[i].symmetry=0;}