DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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fileReaders.h File Reference

Contains commonly used I/O file utils functions. More...

#include <string>
#include <vector>
#include <mpi.h>

Go to the source code of this file.

Namespaces

namespace  dftfe
 
namespace  dftfe::dftUtils
 Contains repeatedly used functions in the KSDFT calculations.
 

Functions

void dftfe::dftUtils::readFile (const unsigned int numColumns, std::vector< std::vector< double > > &data, const std::string &fileName)
 Read from file containing only double data in columns.
 
void dftfe::dftUtils::readFile (std::vector< std::vector< double > > &data, const std::string &fileName)
 Read from file containing only double data in columns.
 
int dftfe::dftUtils::readPsiFile (const unsigned int numColumns, std::vector< std::vector< double > > &data, const std::string &fileName)
 Read from file containing only double data in columns.
 
void dftfe::dftUtils::writeDataIntoFile (const std::vector< std::vector< double > > &data, const std::string &fileName, const MPI_Comm &mpi_comm_parent)
 Write data into file containing only double data in rows and columns.
 
void dftfe::dftUtils::writeDataIntoFile (const std::vector< std::vector< double > > &data, const std::string &fileName)
 Write data into file containing only double data in rows and columns.
 
void dftfe::dftUtils::readRelaxationFlagsFile (const unsigned int numColumns, std::vector< std::vector< int > > &data, std::vector< std::vector< double > > &forceData, const std::string &fileName)
 Read from file containing only integer data in columns.
 
void dftfe::dftUtils::moveFile (const std::string &old_name, const std::string &new_name)
 Move/rename checkpoint file.
 
void dftfe::dftUtils::copyFile (const std::string &pathold, const std::string &pathnew)
 copy file.
 
void dftfe::dftUtils::verifyCheckpointFileExists (const std::string &filename)
 Verify if checkpoint file exists.
 

Detailed Description

Contains commonly used I/O file utils functions.

Author
Shiva Rudraraju, Phani Motamarri, Sambit Das