DFT-EFE
 
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HermitianIterativeEigenSolver.h
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1/******************************************************************************
2 * Copyright (c) 2021. *
3 * The Regents of the University of Michigan and DFT-EFE developers. *
4 * *
5 * This file is part of the DFT-EFE code. *
6 * *
7 * DFT-EFE is free software: you can redistribute it and/or modify *
8 * it under the terms of the Lesser GNU General Public License as *
9 * published by the Free Software Foundation, either version 3 of *
10 * the License, or (at your option) any later version. *
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12 * DFT-EFE is distributed in the hope that it will be useful, but *
13 * WITHOUT ANY WARRANTY; without even the implied warranty *
14 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. *
15 * See the Lesser GNU General Public License for more details. *
16 * *
17 * You should have received a copy of the GNU Lesser General Public *
18 * License at the top level of DFT-EFE distribution. If not, see *
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20 ******************************************************************************/
21
22/*
23 * @author Avirup Sircar
24 */
25
26#ifndef dftefeHermitianIterativeEigenSolver_h
27#define dftefeHermitianIterativeEigenSolver_h
28
29#include <utils/TypeConfig.h>
31#include <utils/MPITypes.h>
39
40namespace dftefe
41{
42 namespace linearAlgebra
43 {
61 template <typename ValueTypeOperator,
62 typename ValueTypeOperand,
63 utils::MemorySpace memorySpace>
64 class HermitianIterativeEigenSolver
65 {
66 public:
67 using OpContext =
68 OperatorContext<ValueTypeOperator, ValueTypeOperand, memorySpace>;
69 using ValueType =
70 blasLapack::scalar_type<ValueTypeOperator, ValueTypeOperand>;
71 using RealType = blasLapack::real_type<ValueType>;
72
73 public:
74 virtual ~HermitianIterativeEigenSolver() = default;
75
76 virtual EigenSolverError
77 solve(const OpContext & A,
78 std::vector<RealType> & eigenValues,
79 linearAlgebra::MultiVector<ValueType, memorySpace> &eigenVectors,
80 bool computeEigenVectors = false,
81 const OpContext &B = IdentityOperatorContext<ValueTypeOperator,
82 ValueTypeOperand,
83 memorySpace>(),
84 const OpContext &BInv = IdentityOperatorContext<ValueTypeOperator,
85 ValueTypeOperand,
86 memorySpace>()) = 0;
87
88 }; // end of class HermitianIterativeEigenSolver
89 } // end of namespace linearAlgebra
90} // end of namespace dftefe
91#endif // dftefeHermitianIterativeEigenSolver_h
LinearSolverError solve(LinearSolverFunction< ValueTypeOperator, ValueTypeOperand, memorySpace > &linearSolverFunction) override
Function that initiates the linear solve.
MemorySpace
Definition: MemorySpaceType.h:37
dealii includes
Definition: AtomFieldDataSpherical.cpp:31