DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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NodalData.h
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1//
2// Created by nelrufus on 7/17/18.
3//
4
5#ifndef DFTFE_NODALDATA_H
6#define DFTFE_NODALDATA_H
7
8#include "CompositeData.h"
9#include <vector>
10
11namespace dftfe
12{
13 namespace dftUtils
14 {
15 class NodalData : public CompositeData
16 {
17 public:
18 NodalData(const std::vector<double> &vals);
19
20 virtual void
21 getCharArray(char *data) override;
22
23 virtual void
24 getMPIDataType(MPI_Datatype *mpi_datatype) override;
25
26 virtual int
28
29 private:
30 unsigned int d_charspernum;
31 std::vector<double> d_vals;
32 };
33 } // namespace dftUtils
34} // namespace dftfe
35#endif // DFTFE_NODALDATA_H
virtual void getCharArray(char *data) override
unsigned int d_charspernum
Definition NodalData.h:30
std::vector< double > d_vals
Definition NodalData.h:31
virtual int getNumberCharsPerCompositeData() override
NodalData(const std::vector< double > &vals)
virtual void getMPIDataType(MPI_Datatype *mpi_datatype) override
Contains repeatedly used functions in the KSDFT calculations.
Definition CompositeData.h:29
Definition pseudoPotentialToDftfeConverter.cc:34