TBTK
WannierParser.h
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1 /* Copyright 2017 Kristofer Bj√∂rnson
2  *
3  * Licensed under the Apache License, Version 2.0 (the "License");
4  * you may not use this file except in compliance with the License.
5  * You may obtain a copy of the License at
6  *
7  * http://www.apache.org/licenses/LICENSE-2.0
8  *
9  * Unless required by applicable law or agreed to in writing, software
10  * distributed under the License is distributed on an "AS IS" BASIS,
11  * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
12  * See the License for the specific language governing permissions and
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14  */
15 
23 #ifndef COM_DAFER45_TBTK_WANNIER_PARSER
24 #define COM_DAFER45_TBTK_WANNIER_PARSER
25 
26 #include "TBTK/Model.h"
28 #include "TBTK/ReciprocalLattice.h"
29 #include "TBTK/Resource.h"
30 
31 #include <initializer_list>
32 #include <string>
33 #include <vector>
34 
35 namespace TBTK{
36 
38 public:
40 // UnitCell* parseMatrixElements(std::string filename);
42 
44  std::vector<ParallelepipedArrayState*> parseWannierFunctions(
45 // std::string filename,
46  Resource &resource,
47  unsigned int resolutionX,
48  unsigned int resolutionY,
49  unsigned int resolutionZ,
50  unsigned int numStates,
51  std::initializer_list<std::initializer_list<double>> basisVectors
52  );
53 
55  std::vector<ParallelepipedArrayState*> parseWannierFunctions(
56  Resource &resource
57  );
58 
61 
63 // unsigned int getMatrixDimension() const;
64 private:
66 // ReciprocalLattice *reciprocalLattice;
67 
69 // unsigned int matrixDimension;
70 };
71 
72 /*inline ReciprocalLattice* WannierParser::getReciprocalLattice(){
73  return reciprocalLattice;
74 }*/
75 
76 /*inline unsigned int WannierParser::getMatrixDimension() const{
77  return matrixDimension;
78 }*/
79 
80 }; //End of namespace TBTK
81 
82 #endif
A ReciprocalLattice allows for the creation of a momentum space Model from a UnitCells.
Definition: ReciprocalLattice.h:67
Container of Model related information.
std::vector< ParallelepipedArrayState * > parseWannierFunctions(Resource &resource, unsigned int resolutionX, unsigned int resolutionY, unsigned int resolutionZ, unsigned int numStates, std::initializer_list< std::initializer_list< double >> basisVectors)
Definition: WannierParser.h:37
Allows Serializable objects to be saved and loaded using URI.
UnitCell * parseMatrixElements(Resource &resource)
ReciprocalLattice * getReciprocalLattice()
Definition: UnitCell.h:30
Definition: Resource.h:33
Definition: ModelFactory.h:35
State class with parallelepiped array based overlap evaluation.