VCAbuilder.cpp File Reference

Builds HDF5 material files from XML input. More...

#include <iostream>
#include <fstream>
#include <algorithm>
#include <boost/filesystem.hpp>
#include <boost/mpi.hpp>
#include <cmakevars.hpp>
#include <utilities.hpp>
#include <structures.hpp>
#include <vc.hpp>
#include <vasp_io.hpp>
#include <bulk_hdf5.hpp>
#include <string>
#include <vector>
#include <map>
#include <set>
#include <Eigen/Dense>
#include <boost/property_tree/ptree.hpp>
#include <boost/property_tree/xml_parser.hpp>
#include <boost/iostreams/stream_buffer.hpp>
#include <boost/iostreams/device/null.hpp>
#include <io_utils.hpp>

Include dependency graph for VCAbuilder.cpp:

Enumerations
enum	materialTypes { singlecrystal, alloy, parametricalloy }

Functions
Eigen::MatrixXd	matrixRepeater (const Eigen::Ref< Eigen::MatrixXd > sourcematrix, const Eigen::Ref< Eigen::VectorXd > sourcevector)
std::map< std::string, std::vector< double > >	parametric_combinations (std::map< std::string, std::vector< double >> &sourcemap)
void	singleCrystalBuilder (boost::mpi::communicator world)
int	alloyBuilder ()
int	main (int argc, char **argv)

Variables
boost::iostreams::stream_buffer< boost::iostreams::null_sink >	null_buf
std::vector< std::string >	materialBase
int	gridDensityA
int	gridDensityB
int	gridDensityC
std::string	materials_repository = "."
std::string	target_directory = "AUTO"
std::string	target_filename = "AUTO"
int	materialType = -1
std::vector< double >	mixFraction
std::map< std::string, std::vector< double > >	parametric_mixvalues
std::map< std::string, std::vector< double > >	parametric_allcombinations
std::vector< std::string >	mixparameterName
bool	overwrite = false

Detailed Description

Builds HDF5 material files from XML input.

Function Documentation

main()

int main	(	int	argc,
		char **	argv
	)

PARSE INPUT FILE ///

Variable Documentation

null_buf

boost::iostreams::stream_buffer<boost::iostreams::null_sink> null_buf

Initial value:

{
    boost::iostreams::null_sink()}