1038 lines
26 KiB
C++
1038 lines
26 KiB
C++
/*
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LA: linear algebra C++ interface library
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Copyright (C) 2024 Jiri Pittner <jiri.pittner@jh-inst.cas.cz> or <jiri@pittnerovi.com>
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This program is free software: you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
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(at your option) any later version.
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This program is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License
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along with this program. If not, see <http://www.gnu.org/licenses/>.
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*/
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#include <iostream>
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#include "tensor.h"
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#include "laerror.h"
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#include "qsort.h"
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#include "miscfunc.h"
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#include <complex>
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#include "bitvector.h"
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namespace LA {
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template<typename T>
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int Tensor<T>:: calcrank()
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{
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int r=0;
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for(int i=0; i<shape.size(); ++i)
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{
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const indexgroup *sh = &(* const_cast<const NRVec<indexgroup> *>(&shape))[i];
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if(sh->number==0) laerror("empty index group");
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r+=sh->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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template<typename T>
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LA_largeindex Tensor<T>::calcsize()
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{
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groupsizes.resize(shape.size());
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cumsizes.resize(shape.size());
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LA_largeindex s=1;
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for(int i=0; i<shape.size(); ++i)
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{
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const indexgroup *sh = &(* const_cast<const NRVec<indexgroup> *>(&shape))[i];
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if(sh->number==0) laerror("empty index group");
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if(sh->range==0) return 0;
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cumsizes[i]=s;
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switch(sh->symmetry)
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{
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case 0:
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s *= groupsizes[i] = longpow(sh->range,sh->number);
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break;
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case 1:
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s *= groupsizes[i] = simplicial(sh->number,sh->range);
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break;
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case -1:
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s *= groupsizes[i] = simplicial(sh->number,sh->range-sh->number+1);
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break;
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default:
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laerror("illegal index group symmetry");
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break;
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}
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}
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return s;
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}
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LA_largeindex subindex(int *sign, const INDEXGROUP &g, const NRVec<LA_index> &I) //index of one subgroup
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{
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#ifdef DEBUG
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if(I.size()<=0) laerror("empty index group in subindex");
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if(g.number!=I.size()) laerror("mismatch in the number of indices in a group");
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for(int i=0; i<I.size(); ++i) if(I[i]<g.offset || I[i] >= g.offset+g.range) laerror("index out of range in tensor subindex");
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#endif
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switch(I.size()) //a few special cases for efficiency
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{
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case 0:
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*sign=0;
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return 0;
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break;
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case 1:
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*sign=1;
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return I[0]-g.offset;
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break;
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case 2:
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{
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*sign=1;
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if(g.symmetry==0) return (I[1]-g.offset)*g.range+I[0]-g.offset;
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LA_index i0,i1;
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if(I[0]>I[1]) {i1=I[0]; i0=I[1]; if(g.symmetry<0) *sign = -1;} else {i1=I[1]; i0=I[0];}
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i0 -= g.offset;
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i1 -= g.offset;
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if(g.symmetry<0)
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{
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if(i0==i1) {*sign=0; return -1;}
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return i1*(i1-1)/2+i0;
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}
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else
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{
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return i1*(i1+1)/2+i0;
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}
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}
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break;
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default: //general case
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{
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*sign=1;
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if(g.symmetry==0) //rectangular case
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{
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LA_largeindex r=0;
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for(int i=I.size()-1; i>=0; --i)
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{
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r*= g.range;
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r+= I[i]-g.offset;
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}
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return r;
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}
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}
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//compressed storage case
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NRVec<LA_index> II(I);
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II.copyonwrite();
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if(g.offset!=0) II -= g.offset;
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int parity=netsort(II.size(),&II[0]);
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if(g.symmetry<0 && (parity&1)) *sign= -1;
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if(g.symmetry<0) //antisymmetric
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{
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for(int i=0; i<I.size()-1; ++i)
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if(II[i]==II[i+1])
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{*sign=0; return -1;} //identical indices of antisymmetric tensor
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LA_largeindex r=0;
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for(int i=0; i<II.size(); ++i) r += simplicial(i+1,II[i]-i);
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return r;
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}
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else //symmetric
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{
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LA_largeindex r=0;
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for(int i=0; i<II.size(); ++i) r += simplicial(i+1,II[i]);
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return r;
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}
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break;
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}
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laerror("this error should not happen");
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return -1;
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}
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//inverse map of group superindex to canonically ordered index list
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NRVec<LA_index> inverse_subindex(const INDEXGROUP &g, LA_largeindex s)
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{
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NRVec<LA_index> I(g.number);
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if(g.number==1) {I[0]=s+g.offset; return I;}
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switch(g.symmetry)
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{
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case 0:
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for(int i=0; i<g.number; ++i)
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{
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I[i] = s%g.range;
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s /= g.range;
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}
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break;
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case 1:
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for(int i=g.number; i>0; --i)
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{
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I[i-1] = inverse_simplicial(i,s);
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s -= simplicial(i,I[i-1]);
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}
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break;
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case -1:
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for(int i=g.number-1; i>=0; --i)
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{
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I[i] = i + inverse_simplicial(i+1,s);
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s -= simplicial(i+1,I[i]-i);
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}
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break;
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default: laerror("illegal index symmetry");
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}
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if(g.offset!=0) I += g.offset;
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return I;
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}
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template<typename T>
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SUPERINDEX Tensor<T>::inverse_index(LA_largeindex s) const
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{
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SUPERINDEX I(shape.size());
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for(int g=shape.size()-1; g>=0; --g)
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{
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LA_largeindex groupindex;
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if(g>0)
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{
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groupindex = s/cumsizes[g];
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s %= cumsizes[g];
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}
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else groupindex=s;
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I[g] = inverse_subindex(shape[g],groupindex);
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}
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return I;
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}
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template<typename T>
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LA_largeindex Tensor<T>::index(int *sign, const SUPERINDEX &I) const
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{
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//check index structure and ranges
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#ifdef DEBUG
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if(I.size()!=shape.size()) laerror("mismatch in the number of tensor index groups");
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for(int i=0; i<I.size(); ++i)
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{
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if(shape[i].number!=I[i].size()) {std::cerr<<"error in index group no. "<<i<<std::endl; laerror("mismatch in the size of tensor index group");}
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for(int j=0; j<shape[i].number; ++j)
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{
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if(I[i][j] <shape[i].offset || I[i][j] >= shape[i].offset+shape[i].range)
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{
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std::cerr<<"error in index group no. "<<i<<" index no. "<<j<<std::endl;
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laerror("tensor index out of range");
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}
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}
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}
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#endif
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LA_largeindex r=0;
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*sign=1;
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for(int g=0; g<shape.size(); ++g) //loop over index groups
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{
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int gsign;
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LA_largeindex groupindex = subindex(&gsign,shape[g],I[g]);
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//std::cout <<"INDEX TEST group "<<g<<" cumsizes "<< cumsizes[g]<<" groupindex "<<groupindex<<std::endl;
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*sign *= gsign;
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if(groupindex == -1) return -1;
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r += groupindex * cumsizes[g];
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}
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return r;
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}
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template<typename T>
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LA_largeindex Tensor<T>::index(int *sign, const FLATINDEX &I) const
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{
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#ifdef DEBUG
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if(rank()!=I.size()) laerror("tensor rank mismatch in index");
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#endif
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LA_largeindex r=0;
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*sign=1;
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int gstart=0;
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for(int g=0; g<shape.size(); ++g) //loop over index groups
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{
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int gsign;
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int gend= gstart+shape[g].number-1;
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NRVec<LA_index> subI = I.subvector(gstart,gend);
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gstart=gend+1;
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LA_largeindex groupindex = subindex(&gsign,shape[g],subI);
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//std::cout <<"FLATINDEX TEST group "<<g<<" cumsizes "<< cumsizes[g]<<" groupindex "<<groupindex<<std::endl;
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*sign *= gsign;
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if(groupindex == -1) return -1;
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r += groupindex * cumsizes[g];
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}
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return r;
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}
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template<typename T>
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LA_largeindex Tensor<T>::vindex(int *sign, LA_index i1, va_list args) const
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{
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NRVec<LA_index> I(rank());
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I[0]=i1;
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for(int i=1; i<rank(); ++i)
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{
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I[i] = va_arg(args,LA_index);
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}
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va_end(args);
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return index(sign,I);
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}
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//binary I/O
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template<typename T>
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void Tensor<T>::put(int fd) const
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{
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shape.put(fd,true);
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groupsizes.put(fd,true);
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cumsizes.put(fd,true);
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data.put(fd,true);
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}
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template<typename T>
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void Tensor<T>::get(int fd)
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{
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shape.get(fd,true);
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myrank=calcrank(); //is not stored but recomputed
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groupsizes.put(fd,true);
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cumsizes.get(fd,true);
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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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const indexgroup *sh = &(* const_cast<const NRVec<indexgroup> *>(&t.shape))[ngroup];
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switch(sh->symmetry)
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{
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case 0:
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istart= sh->offset;
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iend= sh->offset+sh->range-1;
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break;
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case 1:
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istart= sh->offset;
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if(igroup==sh->number-1) iend= sh->offset+sh->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= sh->offset + igroup;
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if(igroup==sh->number-1) iend= sh->offset+sh->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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const indexgroup *sh2 = &(* const_cast<const NRVec<indexgroup> *>(&t.shape))[newngroup];
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newigroup=sh2->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)
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{
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const indexgroup *sh = &(* const_cast<const NRVec<indexgroup> *>(&shape))[i];
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I[i].resize(sh->number);
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I[i] = sh->offset;
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}
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T *pp=&data[0];
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int ss=shape.size()-1;
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const indexgroup *sh = &(* const_cast<const NRVec<indexgroup> *>(&shape))[ss];
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loopingroups(*this,ss,sh->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<typename T>
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void loopovergroups(Tensor<T> &t, int ngroup, T **p, GROUPINDEX &I, void (*callback)(const GROUPINDEX &, T *))
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{
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for(LA_largeindex i = 0; i<t.groupsizes[ngroup]; ++i)
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{
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I[ngroup]=i;
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if(ngroup==0) (*callback)(I,(*p)++);
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else loopovergroups(t,ngroup-1,p,I,callback);
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}
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}
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template<typename T>
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void Tensor<T>::grouploopover(void (*callback)(const GROUPINDEX &, T *))
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{
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GROUPINDEX I(shape.size());
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T *pp=&data[0];
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loopovergroups(*this,shape.size()-1,&pp,I,callback);
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}
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const NRPerm<int> *help_p;
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template<typename T>
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Tensor<T> *help_t;
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template<typename T>
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const Tensor<T> *help_tt;
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template<typename T>
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static void permutecallback(const GROUPINDEX &I, T *v)
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{
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LA_largeindex target=0;
|
|
for(int i=0; i< help_t<T>->shape.size(); ++i)
|
|
{
|
|
target += I[(*help_p)[i+1]-1] * help_t<T>->cumsizes[i];
|
|
}
|
|
help_t<T>->data[target] = *v;
|
|
}
|
|
|
|
|
|
|
|
template<typename T>
|
|
Tensor<T> Tensor<T>::permute_index_groups(const NRPerm<int> &p) const
|
|
{
|
|
NRVec<indexgroup> newshape=shape.permuted(p);
|
|
Tensor<T> r(newshape);
|
|
|
|
//prepare statics for the callback
|
|
help_p = &p;
|
|
help_t<T> = &r;
|
|
|
|
//now rearrange the data
|
|
const_cast<Tensor<T> *>(this)->grouploopover(permutecallback<T>);
|
|
return r;
|
|
}
|
|
|
|
|
|
FLATINDEX superindex2flat(const SUPERINDEX &I)
|
|
{
|
|
int rank=0;
|
|
for(int i=0; i<I.size(); ++i) rank += I[i].size();
|
|
FLATINDEX J(rank);
|
|
int ii=0;
|
|
for(int i=0; i<I.size(); ++i)
|
|
{
|
|
for(int j=0; j<I[i].size(); ++j) J[ii++] = I[i][j];
|
|
}
|
|
return J;
|
|
}
|
|
|
|
int flatposition(const INDEX &i, const NRVec<indexgroup> &shape)
|
|
{
|
|
int ii=0;
|
|
for(int g=0; g<i.group; ++g) ii+= shape[g].number;
|
|
ii += i.index;
|
|
return ii;
|
|
}
|
|
|
|
int flatposition(int group, int index, const NRVec<indexgroup> &shape)
|
|
{
|
|
int ii=0;
|
|
for(int g=0; g<group; ++g) ii+= shape[g].number;
|
|
ii += index;
|
|
return ii;
|
|
}
|
|
|
|
|
|
template<typename T>
|
|
static void unwind_callback(const SUPERINDEX &I, T *v)
|
|
{
|
|
FLATINDEX J = superindex2flat(I);
|
|
FLATINDEX JP = J.permuted(*help_p,true);
|
|
//std::cout <<"TEST unwind_callback: from "<<JP<<" TO "<<J<<std::endl;
|
|
*v = (*help_tt<T>)(JP); //rhs operator() generates the redundant elements for the unwinded lhs tensor
|
|
}
|
|
|
|
|
|
|
|
template<typename T>
|
|
Tensor<T> Tensor<T>::unwind_index(int group, int index) const
|
|
{
|
|
if(group<0||group>=shape.size()) laerror("wrong group number in unwind_index");
|
|
if(index<0||index>=shape[group].number) laerror("wrong index number in unwind_index");
|
|
if(shape[group].number==1) //single index in the group
|
|
{
|
|
if(group==0) return *this; //is already the least significant group
|
|
NRPerm<int> p(shape.size());
|
|
p[1]= 1+group;
|
|
int ii=1;
|
|
if(ii==1+group) ii++; //skip this
|
|
for(int i=2; i<=shape.size(); ++i)
|
|
{
|
|
p[i]=ii++;
|
|
if(ii==1+group) ii++; //skip this
|
|
}
|
|
if(!p.is_valid()) laerror("internal error in unwind_index");
|
|
return permute_index_groups(p);
|
|
}
|
|
|
|
//general case - recalculate the shape and allocate the new tensor
|
|
NRVec<indexgroup> newshape(shape.size()+1);
|
|
newshape[0].number=1;
|
|
newshape[0].symmetry=0;
|
|
newshape[0].range=shape[group].range;
|
|
#ifndef LA_TENSOR_ZERO_OFFSET
|
|
newshape[0].offset = shape[group].offset;
|
|
#endif
|
|
int flatindex=0; //(group,index) in flat form
|
|
for(int i=0; i<shape.size(); ++i)
|
|
{
|
|
newshape[i+1] = shape[i];
|
|
if(i==group)
|
|
{
|
|
--newshape[i+1].number;
|
|
flatindex += index;
|
|
}
|
|
else flatindex += shape[i].number;
|
|
}
|
|
|
|
Tensor<T> r(newshape);
|
|
if(r.rank()!=rank()) laerror("internal error 2 in unwind_index");
|
|
|
|
//compute the corresponding permutation of FLATINDEX for use in the callback
|
|
NRPerm<int> indexperm(rank());
|
|
indexperm[1]=flatindex+1;
|
|
int ii=1;
|
|
if(ii==flatindex+1) ii++;
|
|
for(int i=2; i<=rank(); ++i)
|
|
{
|
|
indexperm[i] = ii++;
|
|
if(ii==flatindex+1) ii++; //skip this
|
|
}
|
|
if(!indexperm.is_valid())
|
|
{
|
|
std::cout << "indexperm = "<<indexperm<<std::endl;
|
|
laerror("internal error 3 in unwind_index");
|
|
}
|
|
|
|
//loop recursively and do the unwinding
|
|
help_tt<T> = this;
|
|
help_p = &indexperm;
|
|
r.loopover(unwind_callback);
|
|
return r;
|
|
}
|
|
|
|
|
|
template<typename T>
|
|
Tensor<T> Tensor<T>::unwind_indices(const INDEXLIST &il) const
|
|
{
|
|
if(il.size()==0) return *this;
|
|
if(il.size()==1) return unwind_index(il[0].group,il[0].index);
|
|
|
|
for(int i=0; i<il.size(); ++i)
|
|
{
|
|
if(il[i].group<0||il[i].group>=shape.size()) laerror("wrong group number in unwind_indices");
|
|
if(il[i].index<0||il[i].index>=shape[il[i].group].number) laerror("wrong index number in unwind_indices");
|
|
}
|
|
|
|
//all indices are solo in their groups - permute groups
|
|
bool sologroups=true;
|
|
int nonsolo=0;
|
|
for(int i=0; i<il.size(); ++i)
|
|
if(shape[il[i].group].number!=1) {sologroups=false; ++nonsolo;}
|
|
if(sologroups)
|
|
{
|
|
NRPerm<int> p(shape.size());
|
|
bitvector waslisted(shape.size());
|
|
waslisted.clear();
|
|
for(int i=0; i<il.size(); ++i)
|
|
{
|
|
p[1+i] = 1+il[i].group;
|
|
waslisted.set(il[i].group);
|
|
}
|
|
int ii=il.size();
|
|
for(int i=0; i<shape.size(); ++i)
|
|
{
|
|
if(!waslisted[i])
|
|
{
|
|
waslisted.set(i);
|
|
p[1+ii] = 1+i;
|
|
ii++;
|
|
}
|
|
}
|
|
|
|
if(!p.is_valid()) laerror("internal error in unwind_indices");
|
|
if(p.is_identity()) return *this;
|
|
else return permute_index_groups(p);
|
|
}
|
|
|
|
|
|
//general case - recalculate the shape and allocate the new tensor
|
|
NRVec<indexgroup> oldshape(shape);
|
|
oldshape.copyonwrite();
|
|
NRVec<indexgroup> newshape(shape.size()+nonsolo);
|
|
|
|
//first the unwound indices as solo groups
|
|
for(int i=0; i<il.size(); ++i)
|
|
{
|
|
newshape[i].number=1;
|
|
newshape[i].symmetry=0;
|
|
newshape[i].range=shape[il[i].group].range;
|
|
#ifndef LA_TENSOR_ZERO_OFFSET
|
|
newshape[i].offset = shape[il[i].group].offset;
|
|
#endif
|
|
oldshape[il[i].group].number --;
|
|
}
|
|
|
|
//then the remaining groups with one index removed, if nonempty
|
|
int ii=il.size();
|
|
int emptied_groups=0;
|
|
for(int i=0; i<oldshape.size(); ++i)
|
|
if(oldshape[i].number>0)
|
|
{
|
|
newshape[ii++] = oldshape[i];
|
|
}
|
|
else
|
|
++emptied_groups;
|
|
|
|
if(emptied_groups) newshape.resize(newshape.size()-emptied_groups,true);
|
|
|
|
Tensor<T> r(newshape);
|
|
if(r.rank()!=rank()) laerror("internal error 2 in unwind_indces");
|
|
|
|
//compute the corresponding permutation of FLATINDEX for use in the callback
|
|
NRPerm<int> indexperm(rank());
|
|
bitvector waslisted(rank());
|
|
waslisted.clear();
|
|
//first unwound indices
|
|
ii=0;
|
|
for(int i=0; i<il.size(); ++i)
|
|
{
|
|
int pos= flatposition(il[i],shape);
|
|
indexperm[1+ii] = 1+pos;
|
|
waslisted.set(pos);
|
|
++ii;
|
|
}
|
|
|
|
//the remaining index groups
|
|
for(int g=0; g<shape.size(); ++g)
|
|
for(int i=0; i<shape[g].number; ++i)
|
|
{
|
|
int pos= flatposition(g,i,shape);
|
|
if(!waslisted[pos])
|
|
{
|
|
waslisted.set(pos);
|
|
indexperm[1+ii] = 1+pos;
|
|
++ii;
|
|
}
|
|
}
|
|
|
|
if(!indexperm.is_valid())
|
|
{
|
|
std::cout << "indexperm = "<<indexperm<<std::endl;
|
|
laerror("internal error 3 in unwind_indices");
|
|
}
|
|
|
|
//loop recursively and do the unwinding
|
|
help_tt<T> = this;
|
|
help_p = &indexperm;
|
|
r.loopover(unwind_callback);
|
|
return r;
|
|
}
|
|
|
|
template<typename T>
|
|
static void auxmatmult(int nn, int mm, int kk, T *r, T *a, T *b, T alpha=1, T beta=0, bool conjugate=false) //R(nn,mm) = A(nn,kk) * B^T(mm,kk)
|
|
{
|
|
for(int i=0; i<nn; ++i) for(int j=0; j<mm; ++j)
|
|
{
|
|
if(beta==0) r[i*mm+j]=0; else r[i*mm+j] *= beta;
|
|
for(int k=0; k<kk; ++k) r[i*mm+j] += alpha * a[i*kk+k] * conjugate? LA_traits<T>::conjugate(b[j*kk+k]) : b[j*kk+k];
|
|
}
|
|
}
|
|
|
|
|
|
template<>
|
|
void auxmatmult<double>(int nn, int mm, int kk, double *r, double *a, double *b, double alpha, double beta, bool conjugate)
|
|
{
|
|
cblas_dgemm(CblasRowMajor, CblasNoTrans, CblasTrans, nn, mm, kk, alpha, a, kk, b, kk, beta, r, mm);
|
|
}
|
|
|
|
template<>
|
|
void auxmatmult<std::complex<double> >(int nn, int mm, int kk, std::complex<double> *r, std::complex<double> *a, std::complex<double> *b, std::complex<double> alpha, std::complex<double> beta, bool conjugate)
|
|
{
|
|
cblas_zgemm(CblasRowMajor, CblasNoTrans, (conjugate?CblasConjTrans:CblasTrans), nn, mm, kk, &alpha, a, kk, b, kk, &beta, r, mm);
|
|
}
|
|
|
|
|
|
|
|
|
|
|
|
//Conntraction could be implemented without the temporary storage for unwinding, but then we would need
|
|
//double recursion over indices of both tensors. Hopefully using the matrix multiplication here
|
|
//makes it also more efficient, even for (anti)symmetric indices
|
|
//The index unwinding is unfortunately a big burden, and in principle could be eliminated in case of non-symmetric indices
|
|
//
|
|
template<typename T>
|
|
void Tensor<T>::addcontraction(const Tensor &rhs1, int group, int index, const Tensor &rhs, int rhsgroup, int rhsindex, T alpha, T beta, bool doresize, bool conjugate1, bool conjugate)
|
|
{
|
|
if(group<0||group>=rhs1.shape.size()) laerror("wrong group number in contraction");
|
|
if(rhsgroup<0||rhsgroup>=rhs.shape.size()) laerror("wrong rhsgroup number in contraction");
|
|
if(index<0||index>=rhs1.shape[group].number) laerror("wrong index number in conntraction");
|
|
if(rhsindex<0||rhsindex>=rhs.shape[rhsgroup].number) laerror("wrong index number in conntraction");
|
|
if(rhs1.shape[group].offset != rhs.shape[rhsgroup].offset) laerror("incompatible index offset in contraction");
|
|
if(rhs1.shape[group].range != rhs.shape[rhsgroup].range) laerror("incompatible index range in contraction");
|
|
|
|
Tensor<T> u = rhs1.unwind_index(group,index);
|
|
if(conjugate1) u.conjugateme();
|
|
Tensor<T> rhsu = rhs.unwind_index(rhsgroup,rhsindex);
|
|
|
|
|
|
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
|
|
|
|
if(doresize)
|
|
{
|
|
if(beta!= (T)0) laerror("resize in addcontraction requires beta=0");
|
|
resize(newshape);
|
|
}
|
|
else
|
|
{
|
|
if(shape!=newshape) laerror("tensor shape mismatch in addcontraction");
|
|
}
|
|
int nn,mm,kk;
|
|
kk=u.groupsizes[0];
|
|
if(kk!=rhsu.groupsizes[0]) laerror("internal error in addcontraction");
|
|
nn=1; for(int i=1; i<u.shape.size(); ++i) nn*= u.groupsizes[i];
|
|
mm=1; for(int i=1; i<rhsu.shape.size(); ++i) mm*= rhsu.groupsizes[i];
|
|
data.copyonwrite();
|
|
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");
|
|
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");
|
|
if(il2[i].group<0||il2[i].group>=rhs2.shape.size()) laerror("wrong group2 number in contractions");
|
|
if(il1[i].index<0||il1[i].index>=rhs1.shape[il1[i].group].number) laerror("wrong index1 number in conntractions");
|
|
if(il2[i].index<0||il2[i].index>=rhs2.shape[il2[i].group].number) laerror("wrong index2 number in conntractions");
|
|
if(rhs1.shape[il1[i].group].offset != rhs2.shape[il2[i].group].offset) laerror("incompatible index offset in contractions");
|
|
if(rhs1.shape[il1[i].group].range != rhs2.shape[il2[i].group].range) laerror("incompatible index range in contractions");
|
|
}
|
|
|
|
Tensor<T> u = rhs1.unwind_indices(il1);
|
|
if(conjugate1) u.conjugateme();
|
|
Tensor<T> rhsu = rhs2.unwind_indices(il2);
|
|
|
|
|
|
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
|
|
|
|
if(doresize)
|
|
{
|
|
if(beta!= (T)0) laerror("resize in addcontractions requires beta=0");
|
|
resize(newshape);
|
|
}
|
|
else
|
|
{
|
|
if(shape!=newshape) laerror("tensor shape mismatch in addcontraction");
|
|
}
|
|
int nn,mm,kk;
|
|
kk=1;
|
|
int kk2=1;
|
|
for(int i=0; i<il1.size(); ++i)
|
|
{
|
|
kk *= u.groupsizes[i];
|
|
kk2 *= rhsu.groupsizes[i];
|
|
}
|
|
if(kk!=kk2) laerror("internal error in addcontractions");
|
|
|
|
nn=1; for(int i=il1.size(); i<u.shape.size(); ++i) nn*= u.groupsizes[i];
|
|
mm=1; for(int i=il1.size(); i<rhsu.shape.size(); ++i) mm*= rhsu.groupsizes[i];
|
|
data.copyonwrite();
|
|
auxmatmult<T>(nn,mm,kk,&data[0],&u.data[0], &rhsu.data[0],alpha,beta,conjugate2);
|
|
}
|
|
|
|
|
|
|
|
|
|
template<typename T>
|
|
static const PermutationAlgebra<int,T> *help_pa;
|
|
|
|
static bool help_inverse;
|
|
|
|
template<typename T>
|
|
static T help_alpha;
|
|
|
|
template<typename T>
|
|
static void permutationalgebra_callback(const SUPERINDEX &I, T *v)
|
|
{
|
|
FLATINDEX J = superindex2flat(I);
|
|
for(int p=0; p<help_pa<T>->size(); ++p)
|
|
{
|
|
FLATINDEX Jp = J.permuted((*help_pa<T>)[p].perm,help_inverse);
|
|
*v += help_alpha<T> * (*help_pa<T>)[p].weight * (*help_t<T>)(Jp);
|
|
}
|
|
}
|
|
|
|
|
|
|
|
template<typename T>
|
|
void Tensor<T>::apply_permutation_algebra(const Tensor<T> &rhs, const PermutationAlgebra<int,T> &pa, bool inverse, T alpha, T beta)
|
|
{
|
|
if(beta!=(T)0) {if(beta!=(T)1) *this *= beta;} else clear();
|
|
if(alpha==(T)0) return;
|
|
copyonwrite();
|
|
|
|
help_t<T> = const_cast<Tensor<T> *>(&rhs);
|
|
help_pa<T> = &pa;
|
|
help_inverse = inverse;
|
|
help_alpha<T> = alpha;
|
|
loopover(permutationalgebra_callback);
|
|
}
|
|
|
|
|
|
template<typename T>
|
|
void Tensor<T>::split_index_group(int group)
|
|
{
|
|
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");
|
|
|
|
NRVec<indexgroup> newshape(shape.size()+shape[group].number-1);
|
|
int gg=0;
|
|
for(int g=0; g<shape.size(); ++g)
|
|
{
|
|
if(g==group)
|
|
{
|
|
for(int i=0; i<shape[group].number; ++i)
|
|
{
|
|
newshape[gg] = shape[group];
|
|
newshape[gg].number = 1;
|
|
gg++;
|
|
}
|
|
}
|
|
else
|
|
newshape[gg++] = shape[g];
|
|
}
|
|
|
|
shape=newshape;
|
|
LA_largeindex newsize = calcsize(); //recalculate auxiliary arrays
|
|
if(data.size()!=newsize) laerror("internal error in split_index_group");
|
|
}
|
|
|
|
|
|
template<typename T>
|
|
void Tensor<T>:: merge_adjacent_index_groups(int groupfrom, int groupto)
|
|
{
|
|
if(groupfrom<0||groupfrom>= shape.size()) laerror("illegal index group number");
|
|
if(groupto<0||groupto>= shape.size()) laerror("illegal index group number");
|
|
if(groupfrom==groupto) return;
|
|
if(groupfrom>groupto) {int t=groupfrom; groupfrom=groupto; groupto=t;}
|
|
|
|
int newnumber=0;
|
|
for(int g=groupfrom; g<=groupto; ++g)
|
|
{
|
|
if(shape[g].symmetry!=0) laerror("only non-symmetric index groups can be merged");
|
|
if(shape[g].offset!=shape[groupfrom].offset) laerror("incompatible offset in merge_adjacent_index_groups");
|
|
if(shape[g].range!=shape[groupfrom].range) laerror("incompatible range in merge_adjacent_index_groups");
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newnumber += shape[g].number;
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}
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|
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NRVec<indexgroup> newshape(shape.size()-(groupto-groupfrom+1)+1);
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for(int g=0; g<=groupfrom; ++g) newshape[g]=shape[g];
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newshape[groupfrom].number=newnumber;
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for(int g=groupfrom+1; g<newshape.size(); ++g) newshape[g]=shape[g+groupto-groupfrom];
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|
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shape=newshape;
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LA_largeindex newsize = calcsize(); //recalculate auxiliary arrays
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if(data.size()!=newsize) laerror("internal error in merge_adjacent_index_groups");
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|
}
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|
|
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template<typename T>
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Tensor<T> Tensor<T>::merge_index_groups(const NRVec<int> &groups) const
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|
{
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if(groups.size()<=1) return *this;
|
|
NRPerm<int> p(shape.size());
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|
int gg=0;
|
|
bitvector selected(shape.size());
|
|
selected.clear();
|
|
for(int g=0; g<groups.size(); ++g)
|
|
{
|
|
if(groups[g]<0||groups[g]>=shape.size()) laerror("illegal group number in merge_index_groups");
|
|
if(selected[g]) laerror("repeated group number in merge_index_groups");
|
|
selected.set(g);
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|
p[gg++] = 1+groups[g];
|
|
}
|
|
for(int g=0; g<shape.size(); ++g)
|
|
if(!selected[g])
|
|
p[gg++] = 1+g;
|
|
if(gg!=shape.size() || !p.is_valid()) laerror("internal error in merge_index_groups");
|
|
|
|
Tensor<T> r = permute_index_groups(p);
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|
r.merge_adjacent_index_groups(0,groups.size()-1);
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|
return r;
|
|
}
|
|
|
|
|
|
|
|
|
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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
|