fileReaders.h

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// ---------------------------------------------------------------------
//
// Copyright (c) 2017-2025  The Regents of the University of Michigan and DFT-FE
// authors.
//
// This file is part of the DFT-FE code.
//
// The DFT-FE code is free software; you can use it, redistribute
// it, and/or modify it under the terms of the GNU Lesser General
// Public License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
// The full text of the license can be found in the file LICENSE at
// the top level of the DFT-FE distribution.
//
// ---------------------------------------------------------------------
 
/** @file fileReaders.h
 *  @brief Contains commonly used I/O file utils functions
 *
 *  @author Shiva Rudraraju, Phani Motamarri, Sambit Das
 */
 
#ifndef fileReaders_H_
#define fileReaders_H_
#include <string>
#include <vector>
#include <mpi.h>
#include <TypeConfig.h>
 
namespace dftfe
{
  namespace dftUtils
  {
    /**
     * @brief Read from file containing only double data in columns.
     *
     * @param[in] numColumns number of data columsn in the file to be read
     * @param[out] data output double data in [rows][columns] format
     * @param[in] fileName
     */
    void
    readFile(const dftfe::uInt                 numColumns,
             std::vector<std::vector<double>> &data,
             const std::string                &fileName);
 
    /**
     * @brief Read from file containing only double data in columns.
     *
     * @param[out] data output double data in [rows][columns] format
     * @param[in] fileName
     */
    void
    readFile(std::vector<std::vector<double>> &data,
             const std::string                &fileName);
    /**
     * @brief Read from file containing only double data in columns.
     */
    dftfe::Int
    readPsiFile(const dftfe::uInt                 numColumns,
                std::vector<std::vector<double>> &data,
                const std::string                &fileName);
 
    /**
     * @brief Write data into file containing only double data in rows and columns.
     *
     * @param[in] data input double data in [rows][columns] format
     * @param[in] fileName
     * @param[in] mpi_comm_parent parent communicator
     */
    void
    writeDataIntoFile(const std::vector<std::vector<double>> &data,
                      const std::string                      &fileName,
                      const MPI_Comm                         &mpi_comm_parent);
 
    /**
     * @brief Write data into file containing only double data in rows and columns.
     *
     * @param[in] data input double data in [rows][columns] format
     * @param[in] fileName
     */
    void
    writeDataIntoFile(const std::vector<std::vector<double>> &data,
                      const std::string                      &fileName);
 
    /**
     * @brief Read from file containing only integer data in columns.
     */
    void
    readRelaxationFlagsFile(const dftfe::uInt                     numColumns,
                            std::vector<std::vector<dftfe::Int>> &data,
                            std::vector<std::vector<double>>     &forceData,
                            const std::string                    &fileName);
 
    /**
     * @brief Move/rename checkpoint file.
     */
    void
    moveFile(const std::string &old_name, const std::string &new_name);
 
    /**
     * @brief copy file.
     */
    void
    copyFile(const std::string &pathold, const std::string &pathnew);
 
    /**
     * @brief Verify if checkpoint file exists.
     */
    void
    verifyCheckpointFileExists(const std::string &filename);
  }; // namespace dftUtils
 
} // namespace dftfe
#endif