DFT-EFE
 
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PeriodicTableManager.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. *
11 * *
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 *
19 * <https://www.gnu.org/licenses/>. *
20 ******************************************************************************/
21
22/*
23 * @author Bikash Kanungo
24 */
25
26#ifndef dftefePeriodicTableManager_h
27#define dftefePeriodicTableManager_h
28
29#include <utils/TypeConfig.h>
30#include <map>
31#include <string>
32namespace dftefe
33{
34 namespace utils
35 {
41 {
42 public:
47
48 private:
49 static std::map<std::string, double> d_symbolToAtomicNumberMap;
50 static std::map<double, std::string> d_atomicNumberToSymbolMap;
51 };
52
53 } // end of namespace utils
54} // end of namespace dftefe
55#endif // dftefePeriodicTableManager_h
Provides a map from Atomic Number to Atomic Symbol.
Definition: PeriodicTableManager.h:41
PeriodicTableManager()
Constructor.
Definition: PeriodicTableManager.cpp:54
static std::map< std::string, double > d_symbolToAtomicNumberMap
Definition: PeriodicTableManager.h:49
static std::map< double, std::string > d_atomicNumberToSymbolMap
Definition: PeriodicTableManager.h:50
dealii includes
Definition: AtomFieldDataSpherical.cpp:31