working on tensor : stream I/O
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6
t.cc
6
t.cc
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@ -3206,9 +3206,10 @@ INDEXGROUP g;
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g.number=3;
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g.symmetry= -1;
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g.offset=1;
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g.range=10;
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g.range=5;
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Tensor<double> epsilon(g);
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epsilon.clear();
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cout <<epsilon.size()<<endl;
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for(LA_largeindex s=0; s<epsilon.size(); ++s)
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@ -3237,6 +3238,9 @@ epsilon.lhs(1,2,3) -= 1.;
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cout <<epsilon(1,2,3)<<" "<<epsilon(3,2,1)<<endl;
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for(int i=0; i<epsilon.data.size(); ++i) epsilon.data[i]=10*i;
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cout <<epsilon.data;
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cout <<epsilon;
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}
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}
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179
tensor.cc
179
tensor.cc
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@ -35,6 +35,7 @@ for(int i=0; i<shape.size(); ++i)
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if(shape[i].number==0) laerror("empty index group");
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r+=shape[i].number;
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}
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myrank=r;
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return r;
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}
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@ -310,10 +311,188 @@ data.get(fd,true);
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}
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template<typename T>
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Tensor<T>::Tensor(const NRVec<T> &x)
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: data(x)
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{
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myrank=1;
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shape.resize(1);
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shape[0].number=1;
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shape[0].symmetry=0;
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#ifndef LA_TENSOR_ZERO_OFFSET
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shape[0].offset=0;
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#endif
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shape[0].range=x.size();
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calcsize();
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}
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template<typename T>
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Tensor<T>::Tensor(const NRMat<T> &x)
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: data(&x(0,0),x.nrows()*x.ncols())
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{
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myrank=2;
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if(x.nrows()==x.ncols())
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{
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shape.resize(1);
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shape[0].number=2;
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shape[0].symmetry=0;
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#ifndef LA_TENSOR_ZERO_OFFSET
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shape[0].offset=0;
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#endif
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shape[0].range=x.nrows();
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}
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else
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{
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shape.resize(2);
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shape[0].number=1; shape[1].number=1;
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shape[0].symmetry=0; shape[1].symmetry=0;
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#ifndef LA_TENSOR_ZERO_OFFSET
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shape[0].offset=0; shape[1].offset=0;
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#endif
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shape[0].range=x.ncols();
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shape[1].range=x.nrows();
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}
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calcsize();
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}
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template<typename T>
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Tensor<T>::Tensor(const NRSMat<T> &x)
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: data(NRVec<T>(x))
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{
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myrank=2;
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shape.resize(1);
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shape[0].number=2;
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shape[0].symmetry=1;
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#ifndef LA_TENSOR_ZERO_OFFSET
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shape[0].offset=0;
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#endif
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shape[0].range=x.nrows();
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calcsize();
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}
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template<typename T>
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void loopingroups(Tensor<T> &t, int ngroup, int igroup, T **p, SUPERINDEX &I, void (*callback)(const SUPERINDEX &, T *))
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{
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LA_index istart,iend;
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switch(t.shape[ngroup].symmetry)
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{
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case 0:
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istart= t.shape[ngroup].offset;
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iend= t.shape[ngroup].offset+t.shape[ngroup].range-1;
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break;
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case 1:
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istart= t.shape[ngroup].offset;
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if(igroup==t.shape[ngroup].number-1) iend= t.shape[ngroup].offset+t.shape[ngroup].range-1;
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else iend = I[ngroup][igroup+1];
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break;
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case -1:
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istart= t.shape[ngroup].offset + igroup;
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if(igroup==t.shape[ngroup].number-1) iend= t.shape[ngroup].offset+t.shape[ngroup].range-1;
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else iend = I[ngroup][igroup+1]-1;
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break;
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}
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for(LA_index i = istart; i<=iend; ++i)
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{
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I[ngroup][igroup]=i;
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if(ngroup==0 && igroup==0)
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{
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int sign;
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//std::cout <<"TEST "<<t.index(&sign,I)<<" ";
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(*callback)(I,(*p)++);
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}
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else
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{
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int newigroup= igroup-1;
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int newngroup=ngroup;
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if(newigroup<0)
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{
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--newngroup;
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newigroup=t.shape[newngroup].number-1;
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}
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loopingroups(t,newngroup,newigroup,p,I,callback);
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}
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}
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}
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template<typename T>
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void Tensor<T>::loopover(void (*callback)(const SUPERINDEX &, T *))
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{
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SUPERINDEX I(shape.size());
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for(int i=0; i<I.size(); ++i) {I[i].resize(shape[i].number); I[i] = shape[i].offset;}
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T *pp=&data[0];
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loopingroups(*this,shape.size()-1,shape[shape.size()-1].number-1,&pp,I,callback);
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}
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static std::ostream *sout;
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template<typename T>
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static void outputcallback(const SUPERINDEX &I, T *v)
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{
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//print indices flat
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for(int i=0; i<I.size(); ++i)
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for(int j=0; j<I[i].size(); ++j) *sout << I[i][j]<<" ";
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*sout<<" "<< *v<<std::endl;
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}
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std::ostream & operator<<(std::ostream &s, const INDEXGROUP &x)
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{
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s<<x.number <<" "<<x.symmetry<<" ";
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#ifndef LA_TENSOR_ZERO_OFFSET
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s<<x.offset<<" ";
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#endif
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s<< x.range<<std::endl;
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return s;
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}
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std::istream & operator>>(std::istream &s, INDEXGROUP &x)
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{
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s>>x.number>>x.symmetry;
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#ifndef LA_TENSOR_ZERO_OFFSET
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s>>x.offset;
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#endif
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s>>x.range;
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return s;
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}
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template<typename T>
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std::ostream & operator<<(std::ostream &s, const Tensor<T> &x)
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{
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s<<x.shape;
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sout= &s;
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const_cast<Tensor<T> *>(&x)->loopover(&outputcallback<T>);
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return s;
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}
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template <typename T>
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std::istream & operator>>(std::istream &s, Tensor<T> &x)
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{
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s>>x.shape;
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x.data.resize(x.calcsize()); x.calcrank();
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FLATINDEX I(x.rank());
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for(LA_largeindex i=0; i<x.data.size(); ++i)
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{
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for(int j=0; j<I.size(); ++j) s>>I[j];
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T val; s>>val;
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x.lhs(I) = val;
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}
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return s;
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}
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template class Tensor<double>;
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template class Tensor<std::complex<double> >;
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template std::ostream & operator<<(std::ostream &s, const Tensor<double> &x);
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template std::ostream & operator<<(std::ostream &s, const Tensor<std::complex<double> > &x);
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template std::istream & operator>>(std::istream &s, Tensor<double> &x);
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template std::istream & operator>>(std::istream &s, Tensor<std::complex<double> > &x);
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}//namespace
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58
tensor.h
58
tensor.h
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@ -19,6 +19,8 @@
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//a simple tensor class with arbitrary symmetry of index subgroups
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//stored in an efficient way
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//each index group has a specific symmetry (nosym,sym,antisym)
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//additional symmetry between index groups (like in 2-electron integrals) is not supported directly, you would need to nest the class to Tensor<Tensor<T> >
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//presently only a rudimentary implementation
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//presently limited to 2G data size due to NRVec - maybe use a typedef LA_index
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//to uint64_t in the future in vector and matrix classes
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@ -30,6 +32,8 @@
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#include <stdint.h>
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#include <cstdarg>
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#include "vec.h"
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#include "mat.h"
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#include "smat.h"
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#include "miscfunc.h"
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@ -70,6 +74,12 @@ LA_index range; //indices span this range
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inline bool operator!=(const indexgroup &rhs) const {return !((*this)==rhs);};
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} INDEXGROUP;
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std::ostream & operator<<(std::ostream &s, const INDEXGROUP &x);
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std::istream & operator>>(std::istream &s, INDEXGROUP &x);
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template<>
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class LA_traits<indexgroup> {
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public:
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@ -91,11 +101,13 @@ typedef NRVec<NRVec<LA_index> > SUPERINDEX; //all indices in the INDEXGROUP stru
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template<typename T>
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class Tensor {
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int myrank;
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public:
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NRVec<indexgroup> shape;
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NRVec<T> data;
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private:
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int myrank;
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NRVec<LA_largeindex> groupsizes; //group sizes of symmetry index groups (a function of shape but precomputed for efficiency)
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NRVec<LA_largeindex> cumsizes; //cumulative sizes of symmetry index groups (a function of shape but precomputed for efficiency)
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NRVec<T> data;
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public:
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LA_largeindex index(int *sign, const SUPERINDEX &I) const; //map the tensor indices to the position in data
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@ -105,10 +117,13 @@ public:
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//constructors
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Tensor() : myrank(0) {};
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Tensor(const NRVec<indexgroup> &s) : shape(s), data((int)calcsize()), myrank(calcrank()) {}; //general tensor
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Tensor(const indexgroup &g) {shape.resize(1); shape[0]=g; data.resize(calcsize()); myrank=calcrank();}; //tensor with a single index group
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Tensor(const NRVec<indexgroup> &s) : shape(s), data((int)calcsize()) {calcrank();}; //general tensor
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Tensor(const indexgroup &g) {shape.resize(1); shape[0]=g; data.resize(calcsize()); calcrank();}; //tensor with a single index group
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Tensor(const Tensor &rhs): myrank(rhs.myrank), shape(rhs.shape), groupsizes(rhs.groupsizes), cumsizes(rhs.cumsizes), data(rhs.data) {};
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Tensor(int xrank, const NRVec<indexgroup> &xshape, const NRVec<LA_largeindex> &xgroupsizes, const NRVec<LA_largeindex> xcumsizes, const NRVec<T> &xdata) : myrank(xrank), shape(xshape), groupsizes(xgroupsizes), cumsizes(xcumsizes), data(xdata) {};
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explicit Tensor(const NRVec<T> &x);
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explicit Tensor(const NRMat<T> &x);
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explicit Tensor(const NRSMat<T> &x);
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void clear() {data.clear();};
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int rank() const {return myrank;};
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@ -131,8 +146,23 @@ public:
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inline Tensor operator/(const T &a) const {Tensor r(*this); r /=a; return r;};
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inline Tensor& operator+=(const Tensor &rhs) {if(shape!=rhs.shape) laerror("incompatible tensors for operation"); data+=rhs.data; return *this;}
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inline Tensor& operator-=(const Tensor &rhs) {if(shape!=rhs.shape) laerror("incompatible tensors for operation"); data-=rhs.data; return *this;}
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inline Tensor& operator+=(const Tensor &rhs)
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{
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#ifdef DEBUG
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if(shape!=rhs.shape) laerror("incompatible tensors for operation");
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#endif
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data+=rhs.data;
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return *this;
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}
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inline Tensor& operator-=(const Tensor &rhs)
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{
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#ifdef DEBUG
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if(shape!=rhs.shape) laerror("incompatible tensors for operation");
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#endif
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data-=rhs.data;
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return *this;
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}
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inline Tensor operator+(const Tensor &rhs) const {Tensor r(*this); r+=rhs; return r;};
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inline Tensor operator-(const Tensor &rhs) const {Tensor r(*this); r-=rhs; return r;};
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@ -143,19 +173,25 @@ public:
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inline void randomize(const typename LA_traits<T>::normtype &x) {data.randomize(x);};
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void loopover(void (*callback)(const SUPERINDEX &, T *));
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//@@@TODO - unwinding to full size in a specified index
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//@@@contraction by a whole index group or by individual single index
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//@@@TODO - contractions - basic and efficient? first contraction in a single index; between a given group+index in group at each tensor
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//@@@symmetrize a group, antisymmetrize a group, expand a (anti)symmetric grtoup - obecne symmetry change krome +1 na -1 vse mozne
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//@@@outer product and product with a contraction
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//@@@@permuteindexgroups
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//@@@@@@explicit constructors from vec mat smat and dense fourindex
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//@@@@@@ dvojite rekurzivni loopover s callbackem - nebo iterator s funkci next???
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//@@@@@@ stream i/o na zaklade tohoto
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//@@@@symmetrize a group, antisymmetrize a group, expand a (anti)symmetric grtoup - obecne symmetry change krome +1 na -1 vse mozne
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//@@@@@@permute index groups
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};
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template <typename T>
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std::ostream & operator<<(std::ostream &s, const Tensor<T> &x);
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template <typename T>
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std::istream & operator>>(std::istream &s, Tensor<T> &x);
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