DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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CompositeData.h
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1//
2// -------------------------------------------------------------------------------------
3//
4// Copyright (c) 2017-2025 The Regents of the University of Michigan and DFT-FE
5// authors.
6//
7// This file is part of the DFT-FE code.
8//
9// The DFT-FE code is free software; you can use it, redistribute
10// it, and/or modify it under the terms of the GNU Lesser General
11// Public License as published by the Free Software Foundation; either
12// version 2.1 of the License, or (at your option) any later version.
13// The full text of the license can be found in the file LICENSE at
14// the top level of the DFT-FE distribution.
15//
16// --------------------------------------------------------------------------------------
17//
18// @author nelrufus, vishal subramanian
19//
20
21#ifndef DFTFE_COMPOSITEDATA_H
22#define DFTFE_COMPOSITEDATA_H
23
24#include <mpi.h>
25
26namespace dftfe
27{
28 namespace dftUtils
29 {
31 {
32 public:
33 CompositeData() = default;
34
35 virtual void
36 getCharArray(char *data) = 0;
37
38 virtual void
39 getMPIDataType(MPI_Datatype *mpi_datatype) = 0;
40
41 virtual int
43 };
44 } // namespace dftUtils
45} // namespace dftfe
46#endif // DFTFE_COMPOSITEDATA_H
virtual void getCharArray(char *data)=0
virtual int getNumberCharsPerCompositeData()=0
virtual void getMPIDataType(MPI_Datatype *mpi_datatype)=0
Contains repeatedly used functions in the KSDFT calculations.
Definition CompositeData.h:29
Definition pseudoPotentialToDftfeConverter.cc:34