/* void SpinAdapted::operatorfunctions::TensorMultiply(const SpinBlock *ablock, const Baseoperator<Matrix>& a, const Baseoperator<Matrix>& b, const SpinBlock *cblock, Wavefunction& c, Wavefunction& v, const SpinQuantum opQ, double scale) { // can be used for situation with different bra and ket const int leftBraOpSz = cblock->get_leftBlock()->get_braStateInfo().quanta.size (); const int leftKetOpSz = cblock->get_leftBlock()->get_ketStateInfo().quanta.size (); const int rightBraOpSz = cblock->get_rightBlock()->get_braStateInfo().quanta.size (); const int rightKetOpSz = cblock->get_rightBlock()->get_ketStateInfo().quanta.size (); const StateInfo* lbraS = cblock->get_braStateInfo().leftStateInfo, *rbraS = cblock->get_braStateInfo().rightStateInfo; const StateInfo* lketS = cblock->get_ketStateInfo().leftStateInfo, *rketS = cblock->get_ketStateInfo().rightStateInfo; const char conjC = (cblock->get_leftBlock() == ablock) ? 'n' : 't'; const Baseoperator<Matrix>& leftOp = (conjC == 'n') ? a : b; // an ugly hack to support the release memory optimisation const Baseoperator<Matrix>& rightOp = (conjC == 'n') ? b : a; const char leftConj = (conjC == 'n') ? a.conjugacy() : b.conjugacy(); const char rightConj = (conjC == 'n') ? b.conjugacy() : a.conjugacy(); Wavefunction u; u.resize(leftBraOpSz*leftKetOpSz, rightKetOpSz); int totalmem =0; { for (int lQrQPrime = 0; lQrQPrime<leftBraOpSz*rightKetOpSz; ++lQrQPrime) { int rQPrime = lQrQPrime%rightKetOpSz, lQ = lQrQPrime/rightKetOpSz; for (int lQPrime = 0; lQPrime < leftKetOpSz; lQPrime++) if (leftOp.allowed(lQ, lQPrime) && c.allowed(lQPrime, rQPrime)) { int lindex = lQ*leftKetOpSz+lQPrime; u.allowed(lindex, rQPrime) = true; u(lindex,rQPrime).ReSize(lbraS->getquantastates(lQ), rketS->getquantastates(rQPrime)); double factor = leftOp.get_scaling(lbraS->quanta[lQ], lketS->quanta[lQPrime]); MatrixMultiply (leftOp.operator_element(lQ, lQPrime), leftConj, c.operator_element(lQPrime, rQPrime), 'n', u.operator_element(lindex, rQPrime), factor, 0.); } } } pout << "after first step in tensormultiply"<<endl; mcheck("before davidson but after all blocks are built"); { for (int lQrQ = 0; lQrQ<leftBraOpSz*rightBraOpSz; ++lQrQ) { int rQ = lQrQ%rightBraOpSz, lQ=lQrQ/rightBraOpSz; if (v.allowed(lQ, rQ)) for (int rQPrime = 0; rQPrime < rightKetOpSz; rQPrime++) if (rightOp.allowed(rQ, rQPrime)) for (int lQPrime = 0; lQPrime < leftKetOpSz; lQPrime++) if (leftOp.allowed(lQ, lQPrime) && u.allowed(lQ*leftKetOpSz+lQPrime, rQPrime)) { int lindex = lQ*leftKetOpSz+lQPrime; double factor = scale; factor *= dmrginp.get_ninej()(lketS->quanta[lQPrime].get_s().getirrep(), rketS->quanta[rQPrime].get_s().getirrep() , c.get_deltaQuantum(0).get_s().getirrep(), leftOp.get_spin().getirrep(), rightOp.get_spin().getirrep(), opQ.get_s().getirrep(), lbraS->quanta[lQ].get_s().getirrep(), rbraS->quanta[rQ].get_s().getirrep() , v.get_deltaQuantum(0).get_s().getirrep()); factor *= Symmetry::spatial_ninej(lketS->quanta[lQPrime].get_symm().getirrep() , rketS->quanta[rQPrime].get_symm().getirrep(), c.get_symm().getirrep(), leftOp.get_symm().getirrep(), rightOp.get_symm().getirrep(), opQ.get_symm().getirrep(), lbraS->quanta[lQ].get_symm().getirrep() , rbraS->quanta[rQ].get_symm().getirrep(), v.get_symm().getirrep()); int parity = rightOp.get_fermion() && IsFermion(lketS->quanta[lQPrime]) ? -1 : 1; factor *= rightOp.get_scaling(rbraS->quanta[rQ], rketS->quanta[rQPrime]); MatrixMultiply (u.operator_element(lindex, rQPrime), 'n', rightOp(rQ, rQPrime), TransposeOf(rightOp.conjugacy()), v.operator_element(lQ, rQ), factor*parity); } } } } */ void SpinAdapted::operatorfunctions::OperatorScaleAdd(double scaleV, const SpinBlock& b, const Baseoperator<Matrix>& op1, Baseoperator<Matrix>& op2) { const StateInfo& s = b.get_stateInfo(); for (int lQ = 0; lQ< op2.nrows(); lQ++) for (int rQ = 0; rQ<op2.ncols(); rQ++) if (op2.allowed(lQ, rQ) && op1.allowed(lQ,rQ)) { double factor = op1.get_scaling(s.quanta[lQ], s.quanta[rQ]); if (op1.conjugacy() == 't') MatrixScaleAdd(scaleV*factor, op1.operator_element(lQ,rQ).t(), op2.operator_element(lQ,rQ)); else MatrixScaleAdd(scaleV*factor, op1.operator_element(lQ,rQ), op2.operator_element(lQ,rQ)); } }
SparseMatrix& SparseMatrix::operator+=(const SparseMatrix& other) { for (int i = 0; i < nrows(); ++i) for (int j = 0; j < ncols(); ++j) if (allowed(i, j)) { assert(other.allowed(i, j)); MatrixScaleAdd(1., other.operator_element(i, j), operator_element(i, j)); } return *this; }
void ScaleAdd(double d, const SparseMatrix& a, SparseMatrix& b) { for (int lQ = 0; lQ < a.nrows(); ++lQ) for (int rQ = 0; rQ < a.ncols(); ++rQ) if (a.allowed(lQ, rQ)) { if (!b.allowed(lQ, rQ)) cout <<"Not a valid addition"<<endl; assert(b.allowed(lQ, rQ)); MatrixScaleAdd(d, a.operator_element(lQ, rQ), b.operator_element(lQ, rQ)); } }