DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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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. | |
Contains commonly used I/O file utils functions.