working on tensor : stream I/O

This commit is contained in:
Jiri Pittner 2024-04-10 18:28:50 +02:00
parent 74a96d4eb6
commit 0ff55b66bb
3 changed files with 231 additions and 12 deletions

6
t.cc
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@ -3206,9 +3206,10 @@ INDEXGROUP g;
g.number=3; g.number=3;
g.symmetry= -1; g.symmetry= -1;
g.offset=1; g.offset=1;
g.range=10; g.range=5;
Tensor<double> epsilon(g); Tensor<double> epsilon(g);
epsilon.clear();
cout <<epsilon.size()<<endl; cout <<epsilon.size()<<endl;
for(LA_largeindex s=0; s<epsilon.size(); ++s) for(LA_largeindex s=0; s<epsilon.size(); ++s)
@ -3237,6 +3238,9 @@ epsilon.lhs(1,2,3) -= 1.;
cout <<epsilon(1,2,3)<<" "<<epsilon(3,2,1)<<endl; cout <<epsilon(1,2,3)<<" "<<epsilon(3,2,1)<<endl;
for(int i=0; i<epsilon.data.size(); ++i) epsilon.data[i]=10*i;
cout <<epsilon.data;
cout <<epsilon;
} }
} }

179
tensor.cc
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@ -35,6 +35,7 @@ for(int i=0; i<shape.size(); ++i)
if(shape[i].number==0) laerror("empty index group"); if(shape[i].number==0) laerror("empty index group");
r+=shape[i].number; r+=shape[i].number;
} }
myrank=r;
return r; return r;
} }
@ -310,10 +311,188 @@ data.get(fd,true);
} }
template<typename T>
Tensor<T>::Tensor(const NRVec<T> &x)
: data(x)
{
myrank=1;
shape.resize(1);
shape[0].number=1;
shape[0].symmetry=0;
#ifndef LA_TENSOR_ZERO_OFFSET
shape[0].offset=0;
#endif
shape[0].range=x.size();
calcsize();
}
template<typename T>
Tensor<T>::Tensor(const NRMat<T> &x)
: data(&x(0,0),x.nrows()*x.ncols())
{
myrank=2;
if(x.nrows()==x.ncols())
{
shape.resize(1);
shape[0].number=2;
shape[0].symmetry=0;
#ifndef LA_TENSOR_ZERO_OFFSET
shape[0].offset=0;
#endif
shape[0].range=x.nrows();
}
else
{
shape.resize(2);
shape[0].number=1; shape[1].number=1;
shape[0].symmetry=0; shape[1].symmetry=0;
#ifndef LA_TENSOR_ZERO_OFFSET
shape[0].offset=0; shape[1].offset=0;
#endif
shape[0].range=x.ncols();
shape[1].range=x.nrows();
}
calcsize();
}
template<typename T>
Tensor<T>::Tensor(const NRSMat<T> &x)
: data(NRVec<T>(x))
{
myrank=2;
shape.resize(1);
shape[0].number=2;
shape[0].symmetry=1;
#ifndef LA_TENSOR_ZERO_OFFSET
shape[0].offset=0;
#endif
shape[0].range=x.nrows();
calcsize();
}
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;
switch(t.shape[ngroup].symmetry)
{
case 0:
istart= t.shape[ngroup].offset;
iend= t.shape[ngroup].offset+t.shape[ngroup].range-1;
break;
case 1:
istart= t.shape[ngroup].offset;
if(igroup==t.shape[ngroup].number-1) iend= t.shape[ngroup].offset+t.shape[ngroup].range-1;
else iend = I[ngroup][igroup+1];
break;
case -1:
istart= t.shape[ngroup].offset + igroup;
if(igroup==t.shape[ngroup].number-1) iend= t.shape[ngroup].offset+t.shape[ngroup].range-1;
else iend = I[ngroup][igroup+1]-1;
break;
}
for(LA_index i = istart; i<=iend; ++i)
{
I[ngroup][igroup]=i;
if(ngroup==0 && igroup==0)
{
int sign;
//std::cout <<"TEST "<<t.index(&sign,I)<<" ";
(*callback)(I,(*p)++);
}
else
{
int newigroup= igroup-1;
int newngroup=ngroup;
if(newigroup<0)
{
--newngroup;
newigroup=t.shape[newngroup].number-1;
}
loopingroups(t,newngroup,newigroup,p,I,callback);
}
}
}
template<typename T>
void Tensor<T>::loopover(void (*callback)(const SUPERINDEX &, T *))
{
SUPERINDEX I(shape.size());
for(int i=0; i<I.size(); ++i) {I[i].resize(shape[i].number); I[i] = shape[i].offset;}
T *pp=&data[0];
loopingroups(*this,shape.size()-1,shape[shape.size()-1].number-1,&pp,I,callback);
}
static std::ostream *sout;
template<typename T>
static void outputcallback(const SUPERINDEX &I, T *v)
{
//print indices flat
for(int i=0; i<I.size(); ++i)
for(int j=0; j<I[i].size(); ++j) *sout << I[i][j]<<" ";
*sout<<" "<< *v<<std::endl;
}
std::ostream & operator<<(std::ostream &s, const INDEXGROUP &x)
{
s<<x.number <<" "<<x.symmetry<<" ";
#ifndef LA_TENSOR_ZERO_OFFSET
s<<x.offset<<" ";
#endif
s<< x.range<<std::endl;
return s;
}
std::istream & operator>>(std::istream &s, INDEXGROUP &x)
{
s>>x.number>>x.symmetry;
#ifndef LA_TENSOR_ZERO_OFFSET
s>>x.offset;
#endif
s>>x.range;
return s;
}
template<typename T>
std::ostream & operator<<(std::ostream &s, const Tensor<T> &x)
{
s<<x.shape;
sout= &s;
const_cast<Tensor<T> *>(&x)->loopover(&outputcallback<T>);
return s;
}
template <typename T>
std::istream & operator>>(std::istream &s, Tensor<T> &x)
{
s>>x.shape;
x.data.resize(x.calcsize()); x.calcrank();
FLATINDEX I(x.rank());
for(LA_largeindex i=0; i<x.data.size(); ++i)
{
for(int j=0; j<I.size(); ++j) s>>I[j];
T val; s>>val;
x.lhs(I) = val;
}
return s;
}
template class Tensor<double>; template class Tensor<double>;
template class Tensor<std::complex<double> >; template class Tensor<std::complex<double> >;
template std::ostream & operator<<(std::ostream &s, const Tensor<double> &x);
template std::ostream & operator<<(std::ostream &s, const Tensor<std::complex<double> > &x);
template std::istream & operator>>(std::istream &s, Tensor<double> &x);
template std::istream & operator>>(std::istream &s, Tensor<std::complex<double> > &x);
}//namespace }//namespace

View File

@ -19,6 +19,8 @@
//a simple tensor class with arbitrary symmetry of index subgroups //a simple tensor class with arbitrary symmetry of index subgroups
//stored in an efficient way //stored in an efficient way
//each index group has a specific symmetry (nosym,sym,antisym)
//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> >
//presently only a rudimentary implementation //presently only a rudimentary implementation
//presently limited to 2G data size due to NRVec - maybe use a typedef LA_index //presently limited to 2G data size due to NRVec - maybe use a typedef LA_index
//to uint64_t in the future in vector and matrix classes //to uint64_t in the future in vector and matrix classes
@ -30,6 +32,8 @@
#include <stdint.h> #include <stdint.h>
#include <cstdarg> #include <cstdarg>
#include "vec.h" #include "vec.h"
#include "mat.h"
#include "smat.h"
#include "miscfunc.h" #include "miscfunc.h"
@ -70,6 +74,12 @@ LA_index range; //indices span this range
inline bool operator!=(const indexgroup &rhs) const {return !((*this)==rhs);}; inline bool operator!=(const indexgroup &rhs) const {return !((*this)==rhs);};
} INDEXGROUP; } INDEXGROUP;
std::ostream & operator<<(std::ostream &s, const INDEXGROUP &x);
std::istream & operator>>(std::istream &s, INDEXGROUP &x);
template<> template<>
class LA_traits<indexgroup> { class LA_traits<indexgroup> {
public: public:
@ -91,11 +101,13 @@ typedef NRVec<NRVec<LA_index> > SUPERINDEX; //all indices in the INDEXGROUP stru
template<typename T> template<typename T>
class Tensor { class Tensor {
int myrank; public:
NRVec<indexgroup> shape; NRVec<indexgroup> shape;
NRVec<T> data;
private:
int myrank;
NRVec<LA_largeindex> groupsizes; //group sizes of symmetry index groups (a function of shape but precomputed for efficiency) NRVec<LA_largeindex> groupsizes; //group sizes of symmetry index groups (a function of shape but precomputed for efficiency)
NRVec<LA_largeindex> cumsizes; //cumulative sizes of symmetry index groups (a function of shape but precomputed for efficiency) NRVec<LA_largeindex> cumsizes; //cumulative sizes of symmetry index groups (a function of shape but precomputed for efficiency)
NRVec<T> data;
public: public:
LA_largeindex index(int *sign, const SUPERINDEX &I) const; //map the tensor indices to the position in data LA_largeindex index(int *sign, const SUPERINDEX &I) const; //map the tensor indices to the position in data
@ -105,10 +117,13 @@ public:
//constructors //constructors
Tensor() : myrank(0) {}; Tensor() : myrank(0) {};
Tensor(const NRVec<indexgroup> &s) : shape(s), data((int)calcsize()), myrank(calcrank()) {}; //general tensor Tensor(const NRVec<indexgroup> &s) : shape(s), data((int)calcsize()) {calcrank();}; //general tensor
Tensor(const indexgroup &g) {shape.resize(1); shape[0]=g; data.resize(calcsize()); myrank=calcrank();}; //tensor with a single index group Tensor(const indexgroup &g) {shape.resize(1); shape[0]=g; data.resize(calcsize()); calcrank();}; //tensor with a single index group
Tensor(const Tensor &rhs): myrank(rhs.myrank), shape(rhs.shape), groupsizes(rhs.groupsizes), cumsizes(rhs.cumsizes), data(rhs.data) {}; Tensor(const Tensor &rhs): myrank(rhs.myrank), shape(rhs.shape), groupsizes(rhs.groupsizes), cumsizes(rhs.cumsizes), data(rhs.data) {};
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) {}; 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) {};
explicit Tensor(const NRVec<T> &x);
explicit Tensor(const NRMat<T> &x);
explicit Tensor(const NRSMat<T> &x);
void clear() {data.clear();}; void clear() {data.clear();};
int rank() const {return myrank;}; int rank() const {return myrank;};
@ -131,8 +146,23 @@ public:
inline Tensor operator/(const T &a) const {Tensor r(*this); r /=a; return r;}; inline Tensor operator/(const T &a) const {Tensor r(*this); r /=a; return r;};
inline Tensor& operator+=(const Tensor &rhs) {if(shape!=rhs.shape) laerror("incompatible tensors for operation"); data+=rhs.data; return *this;} inline Tensor& operator+=(const Tensor &rhs)
inline Tensor& operator-=(const Tensor &rhs) {if(shape!=rhs.shape) laerror("incompatible tensors for operation"); data-=rhs.data; return *this;} {
#ifdef DEBUG
if(shape!=rhs.shape) laerror("incompatible tensors for operation");
#endif
data+=rhs.data;
return *this;
}
inline Tensor& operator-=(const Tensor &rhs)
{
#ifdef DEBUG
if(shape!=rhs.shape) laerror("incompatible tensors for operation");
#endif
data-=rhs.data;
return *this;
}
inline Tensor operator+(const Tensor &rhs) const {Tensor r(*this); r+=rhs; return r;}; inline Tensor operator+(const Tensor &rhs) const {Tensor r(*this); r+=rhs; return r;};
inline Tensor operator-(const Tensor &rhs) const {Tensor r(*this); r-=rhs; return r;}; inline Tensor operator-(const Tensor &rhs) const {Tensor r(*this); r-=rhs; return r;};
@ -143,19 +173,25 @@ public:
inline void randomize(const typename LA_traits<T>::normtype &x) {data.randomize(x);}; inline void randomize(const typename LA_traits<T>::normtype &x) {data.randomize(x);};
void loopover(void (*callback)(const SUPERINDEX &, T *));
//@@@TODO - unwinding to full size in a specified index //@@@TODO - unwinding to full size in a specified index
//@@@contraction by a whole index group or by individual single index //@@@contraction by a whole index group or by individual single index
//@@@TODO - contractions - basic and efficient? first contraction in a single index; between a given group+index in group at each tensor //@@@TODO - contractions - basic and efficient? first contraction in a single index; between a given group+index in group at each tensor
//@@@symmetrize a group, antisymmetrize a group, expand a (anti)symmetric grtoup - obecne symmetry change krome +1 na -1 vse mozne
//@@@outer product and product with a contraction //@@@outer product and product with a contraction
//@@@@permuteindexgroups //@@@@symmetrize a group, antisymmetrize a group, expand a (anti)symmetric grtoup - obecne symmetry change krome +1 na -1 vse mozne
//@@@@@@explicit constructors from vec mat smat and dense fourindex //@@@@@@permute index groups
//@@@@@@ dvojite rekurzivni loopover s callbackem - nebo iterator s funkci next???
//@@@@@@ stream i/o na zaklade tohoto
}; };
template <typename T>
std::ostream & operator<<(std::ostream &s, const Tensor<T> &x);
template <typename T>
std::istream & operator>>(std::istream &s, Tensor<T> &x);