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Fix - minor: eigval eigvec arg ordering (#132)
* fix ordering of eval and evec in eig() and eigh() * fix ordering of evals and evecs in function call
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nuTens/propagator/const-density-solver.cpp

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -16,7 +16,7 @@ void ConstDensityMatterSolver::calculateEigenvalues(Tensor &eigenvectors, Tensor
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}
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}
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Tensor::eigh(hamiltonian, eigenvectors, eigenvalues);
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Tensor::eigh(hamiltonian, eigenvalues, eigenvectors);
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}
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void ConstDensityMatterSolver::buildElectronOuterProduct()
@@ -38,4 +38,4 @@ void ConstDensityMatterSolver::buildElectronOuterProduct()
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Tensor::scale(Tensor::outer(mixingMatrix.getValues({0, 0, "..."}), mixingMatrix.getValues({0, 0, "..."}).conj()),
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nuTens::constants::Groot2 * density);
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}
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}
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}

nuTens/tensors/torch-tensor.cpp

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -434,17 +434,17 @@ void Tensor::eig(const Tensor &t, Tensor &eVals, Tensor &eVecs)
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NT_PROFILE();
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auto ret = torch::linalg_eig(t._tensor);
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eVals.setTensor(std::get<1>(ret));
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eVecs.setTensor(std::get<0>(ret));
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eVals.setTensor(std::get<0>(ret));
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eVecs.setTensor(std::get<1>(ret));
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}
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void Tensor::eigh(const Tensor &t, Tensor &eVals, Tensor &eVecs)
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{
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NT_PROFILE();
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auto ret = torch::linalg_eigh(t._tensor);
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eVals.setTensor(std::get<1>(ret));
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eVecs.setTensor(std::get<0>(ret));
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eVals.setTensor(std::get<0>(ret));
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eVecs.setTensor(std::get<1>(ret));
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}
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void Tensor::eigvals(const Tensor &t, Tensor &eVals)

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