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#include <TypeConfig.h>
11
12namespace dftfe
13{
14 namespace dftUtils
15 {
16 class NodalData : public CompositeData
17 {
18 public:
19 NodalData(const std::vector<double> &vals);
20
21 virtual void
22 getCharArray(char *data) override;
23
24 virtual void
25 getMPIDataType(MPI_Datatype *mpi_datatype) override;
26
27 virtual dftfe::Int
29
30 private:
32 std::vector<double> d_vals;
33 };
34 } // namespace dftUtils
35} // namespace dftfe
36#endif // DFTFE_NODALDATA_H
dftfe::uInt d_charspernum
Definition NodalData.h:31
virtual void getCharArray(char *data) override
virtual dftfe::Int getNumberCharsPerCompositeData() override
std::vector< double > d_vals
Definition NodalData.h:32
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
std::uint32_t uInt
Definition TypeConfig.h:10
std::int32_t Int
Definition TypeConfig.h:11