jiri/LA_library
1
0
Fork 0
Code Issues Pull Requests Projects Releases Wiki Activity

tensor: bugfixes and hermiticity enforcement

Browse Source
This commit is contained in:
Jiri Pittner
2025-11-19 14:58:45 +01:00
parent 78569ca701
commit c067029b1d
4 changed files with 199 additions and 20 deletions
Download Patch File Download Diff File Expand all files Collapse all files

38
tensor.h
View File

@@ -50,7 +50,7 @@
namespace LA {
template<typename T>
inline T signeddata(const int sgn, const T data, const bool lhs=false)
static inline T signeddata(const int sgn, const T &data)
{
if(LA_traits<T>::is_complex()) //condition known at compile time
{
@@ -69,9 +69,6 @@ if(LA_traits<T>::is_complex()) //condition known at compile time
return -LA_traits<T>::conjugate(data);
break;
case 0:
#ifdef DEBUG
if(lhs) laerror("dereferencing lhs Signedpointer to nonexistent tensor element");
#endif
return 0;
break;
}
@@ -81,9 +78,6 @@ if(LA_traits<T>::is_complex()) //condition known at compile time
{
if(sgn>0) return data;
if(sgn<0) return -data;
#ifdef DEBUG
if(sgn==0 && lhs) laerror("dereferencing lhs Signedpointer to nonexistent tensor element");
#endif
return 0;
}
@@ -273,12 +267,24 @@ public:
void resize(const NRVec<INDEXGROUP> &s) {shape=s; data.resize(calcsize()); calcrank(); names.clear();};
void deallocate() {data.resize(0); shape.resize(0); groupsizes.resize(0); cumsizes.resize(0); names.resize(0);};
inline Signedpointer<T> lhs(const SUPERINDEX &I) {int sign; LA_largeindex i=index(&sign,I); return Signedpointer<T>(&data[i],sign);};
inline T operator()(const SUPERINDEX &I) const {int sign; LA_largeindex i=index(&sign,I); return signeddata(sign,data[i]);};
inline Signedpointer<T> lhs(const FLATINDEX &I) {int sign; LA_largeindex i=index(&sign,I); return Signedpointer<T>(&data[i],sign);};
inline T operator()(const FLATINDEX &I) const {int sign; LA_largeindex i=index(&sign,I); return signeddata(sign,data[i]);};
inline Signedpointer<T> lhs(LA_index i1...) {va_list args; int sign; LA_largeindex i; va_start(args,i1); i= vindex(&sign, i1,args); return Signedpointer<T>(&data[i],sign); };
inline T operator()(LA_index i1...) const {va_list args; ; int sign; LA_largeindex i; va_start(args,i1); i= vindex(&sign, i1,args); return signeddata(sign,data[i]);};
inline Signedpointer<T> lhs(const SUPERINDEX &I) {int sign; LA_largeindex i=index(&sign,I);
#ifdef DEBUG
if(sign==0) laerror("l-value pointer to nonexistent tensor element");
#endif
return Signedpointer<T>(&data[i],sign);};
inline T operator()(const SUPERINDEX &I) const {int sign; LA_largeindex i=index(&sign,I); if(sign==0) return 0; else return signeddata(sign,data[i]);};
inline Signedpointer<T> lhs(const FLATINDEX &I) {int sign; LA_largeindex i=index(&sign,I);
#ifdef DEBUG
if(sign==0) laerror("l-value pointer to nonexistent tensor element");
#endif
return Signedpointer<T>(&data[i],sign);};
inline T operator()(const FLATINDEX &I) const {int sign; LA_largeindex i=index(&sign,I); if(sign==0) return 0; else return signeddata(sign,data[i]);};
inline Signedpointer<T> lhs(LA_index i1...) {va_list args; int sign; LA_largeindex i; va_start(args,i1); i= vindex(&sign, i1,args);
#ifdef DEBUG
if(sign==0) laerror("l-value pointer to nonexistent tensor element");
#endif
return Signedpointer<T>(&data[i],sign); };
inline T operator()(LA_index i1...) const {va_list args; ; int sign; LA_largeindex i; va_start(args,i1); i= vindex(&sign, i1,args); if(sign==0) return 0; else return signeddata(sign,data[i]);};
inline Tensor& operator=(const Tensor &rhs) {myrank=rhs.myrank; shape=rhs.shape; groupsizes=rhs.groupsizes; cumsizes=rhs.cumsizes; data=rhs.data; names=rhs.names; return *this;};
@@ -332,7 +338,9 @@ public:
void put(int fd, bool with_names=false) const;
void get(int fd, bool with_names=false);
inline void randomize(const typename LA_traits<T>::normtype &x) {if(has_hermiticity()) laerror("randomization does not support correct treatment of hermitean/antihermitean index groups"); data.randomize(x);};
void enforce_hermiticity(); //zero out real/imag parts for repeated indices appropriately
bool fulfills_hermiticity() const; //check it is so
inline void randomize(const typename LA_traits<T>::normtype &x) {data.randomize(x); enforce_hermiticity();};
void loopover(void (*callback)(const SUPERINDEX &, T *)); //loop over all elements
void constloopover(void (*callback)(const SUPERINDEX &, const T *)) const; //loop over all elements
@@ -373,7 +381,7 @@ public:
Tensor innercontraction(const NRVec<INDEXNAME> &nl1, const NRVec<INDEXNAME> &nl2) const {return innercontraction(findindexlist(nl1),findindexlist(nl2));};
Tensor innercontraction(const INDEXNAME &n1, const INDEXNAME &n2) const {return innercontraction(findindex(n1),findindex(n2));};
void apply_permutation_algebra(const Tensor &rhs, const PermutationAlgebra<int,T> &pa, bool inverse=false, T alpha=1, T beta=0); //general (not optimally efficient) symmetrizers, antisymmetrizers etc. acting on the flattened index list:
void apply_permutation_algebra(const Tensor &rhs, const PermutationAlgebra<int,T> &pa, bool inverse=false, T alpha=1, T beta=0, bool conjugate_by_parity=false); //general (not optimally efficient) symmetrizers, antisymmetrizers etc. acting on the flattened index list:
void apply_permutation_algebra(const NRVec<Tensor> &rhsvec, const PermutationAlgebra<int,T> &pa, bool inverse=false, T alpha=1, T beta=0); //avoids explicit outer product but not vectorized, rather inefficient
// this *=beta; for I over this: this(I) += alpha * sum_P c_P rhs(P(I))
// PermutationAlgebra can represent e.g. general_antisymmetrizer in Kucharski-Bartlett notation, or Grassmann products building RDM from cumulants