eu.deepen.cdf

Class POSCAR2CDF

java.lang.Object

eu.deepen.cdf.POSCAR2CDF

public class POSCAR2CDF
extends java.lang.Object

Generate CDF file from a POSCAR file.

Field Summary

Fields

Modifier and Type	Field and Description
private static java.lang.String	cdfFileName
private static eu.deepen.cdf.library.CDFLibrary	cdfLibrary
private static eu.deepen.cdf.library.data.DataStructure<?>	data_atomic_positions
private static eu.deepen.cdf.library.data.DataStructure<?>	data_atomic_species
private static eu.deepen.cdf.library.data.DataStructure<?>	data_cell_parameters
private static eu.deepen.cdf.library.data.DataStructure<?>	data_num_atomic_species
private static java.lang.String	DATASETNAME_ATOMIC_POSITIONS ATOMIC_POSITIONS
private static java.lang.String	DATASETNAME_ATOMIC_SPECIES ATOMIC_SPECIES
private static java.lang.String	DATASETNAME_CELL_PARAMETERS CELL_PARAMETERS
private static java.lang.String	DATASETNAME_NUM_ATOMIC_SPECIES NUM_ATOMIC_SPECIES
private static java.lang.String	GROUPNAME /Omen
private static java.lang.String	poscarFileName

Constructor Summary

Constructors

Constructor and Description
POSCAR2CDF()

Method Summary

Methods

Modifier and Type	Method and Description
static void	main(java.lang.String[] args) Usage: POSCAR2CDF poscar_filename cdf_filename
private static void	readPOSCARfile(java.lang.String inputfilename) Read and parse the content of POSCAR file
static void	toCDF(java.lang.String poscar_filename, java.lang.String cdf_filename) Read and parse a POSCAR file, insert data into a CDF file with name cdf_filename

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

poscarFileName

private static java.lang.String poscarFileName

cdfFileName

private static java.lang.String cdfFileName

GROUPNAME

private static final java.lang.String GROUPNAME

/Omen

See Also:

Constant Field Values

DATASETNAME_ATOMIC_SPECIES

private static final java.lang.String DATASETNAME_ATOMIC_SPECIES

ATOMIC_SPECIES

See Also:

Constant Field Values

DATASETNAME_NUM_ATOMIC_SPECIES

private static final java.lang.String DATASETNAME_NUM_ATOMIC_SPECIES

NUM_ATOMIC_SPECIES

See Also:

Constant Field Values

DATASETNAME_ATOMIC_POSITIONS

private static final java.lang.String DATASETNAME_ATOMIC_POSITIONS

ATOMIC_POSITIONS

See Also:

Constant Field Values

DATASETNAME_CELL_PARAMETERS

private static final java.lang.String DATASETNAME_CELL_PARAMETERS

CELL_PARAMETERS

See Also:

Constant Field Values

data_atomic_species

private static eu.deepen.cdf.library.data.DataStructure<?> data_atomic_species

data_num_atomic_species

private static eu.deepen.cdf.library.data.DataStructure<?> data_num_atomic_species

data_atomic_positions

private static eu.deepen.cdf.library.data.DataStructure<?> data_atomic_positions

data_cell_parameters

private static eu.deepen.cdf.library.data.DataStructure<?> data_cell_parameters

cdfLibrary

private static eu.deepen.cdf.library.CDFLibrary cdfLibrary

Constructor Detail

POSCAR2CDF

public POSCAR2CDF()

Method Detail

toCDF

public static void toCDF(java.lang.String poscar_filename,
         java.lang.String cdf_filename)

Read and parse a POSCAR file, insert data into a CDF file with name cdf_filename

Parameters:

poscar_filename - File name of POSCAR file

cdf_filename - File name of CDF file

readPOSCARfile

private static void readPOSCARfile(java.lang.String inputfilename)

Read and parse the content of POSCAR file

Parameters:

inputfilename - POSCAR file name

main

public static void main(java.lang.String[] args)

Usage: POSCAR2CDF poscar_filename cdf_filename

Parameters:

args - poscar_filename, cdf_filename