OutputMatrix Class Reference

Collaboration diagram for OutputMatrix:

Public Types
using	RealType = QMCTraits::RealType

Public Member Functions
	OutputMatrix ()
	Constructor. More...
void	init_file (const std::string &root_name, const std::string &name, int N)
	Open a text-formatted scalar.dat file and print the header line. More...
void	output (Matrix< RealType > &mat)
	Print matrix to text-formatted scalar.dat file. More...

Private Attributes
int	index_
std::ofstream	output_file_

Detailed Description

Definition at line 27 of file OutputMatrix.h.

Member Typedef Documentation

RealType

using RealType = QMCTraits::RealType

Definition at line 30 of file OutputMatrix.h.

Constructor & Destructor Documentation

OutputMatrix()

OutputMatrix

(

)

Constructor.

Definition at line 22 of file OutputMatrix.cpp.

: index_(0) {}

Member Function Documentation

init_file()

void init_file	(	const std::string &	root_name,
		const std::string &	name,
		int	N
	)

Open a text-formatted scalar.dat file and print the header line.

Definition at line 24 of file OutputMatrix.cpp.

References qmcplusplus::app_log(), qmcplusplus::Units::force::N, and OutputMatrix::output_file_.

Referenced by QMCFixedSampleLinearOptimize::run(), and QMCFixedSampleLinearOptimizeBatched::run().

{
  int namelen = root_name.length();
  // Assume that the root_name has the series suffix (".s000").
  // Remove the series suffix to get the project id
  std::string fname = root_name.substr(0, namelen - 5) + "." + name + ".s000.scalar.dat";
  app_log() << "Output matrix file: " << fname << std::endl;

  output_file_.open(fname);
  output_file_ << "# Index ";
  for (int i = 0; i < N; i++)
  {
    for (int j = 0; j < N; j++)
    {
      std::string index_name = name + "_" + std::to_string(i) + "_" + std::to_string(j);
      output_file_ << index_name << " ";
    }
  }
  output_file_ << std::endl;
}

output()

void output

(

Matrix< RealType > &

mat

)

Print matrix to text-formatted scalar.dat file.

Definition at line 45 of file OutputMatrix.cpp.

References Matrix< T, Alloc >::cols(), OutputMatrix::index_, OutputMatrix::output_file_, and Matrix< T, Alloc >::rows().

Referenced by QMCFixedSampleLinearOptimizeBatched::one_shift_run().

{
  output_file_ << index_ << " ";
  for (int i = 0; i < mat.rows(); i++)
  {
    for (int j = 0; j < mat.cols(); j++)
    {
      output_file_ << mat(i, j) << " ";
    }
  }
  output_file_ << std::endl;
  index_++;
}

Member Data Documentation

index_

int index_

private

Definition at line 42 of file OutputMatrix.h.

Referenced by OutputMatrix::output().

output_file_

std::ofstream output_file_

private

Definition at line 44 of file OutputMatrix.h.

Referenced by OutputMatrix::init_file(), and OutputMatrix::output().

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The documentation for this class was generated from the following files:

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCDrivers/WFOpt/OutputMatrix.h
• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCDrivers/WFOpt/OutputMatrix.cpp