Package ffx.potential.commands

Class ExportQE

java.lang.Object

ffx.utilities.FFXCommand

ffx.potential.cli.PotentialCommand

ffx.potential.commands.ExportQE

public class ExportQE
extends PotentialCommand

Generate Quantum Espresso (QE) input from an XYZ file. Usage: ffxc XYZtoQE [options] <filename>

Field Summary

Fields inherited from class ffx.potential.cli.PotentialCommand

activeAssembly, baseDir, potentialFunctions

Fields inherited from class ffx.utilities.FFXCommand

args, binding, color, help, logger, parseResult, version

Constructor Summary

Constructors

Constructor	Description
ExportQE()
ExportQE(FFXBinding binding)
ExportQE(String[] args)

Method Summary

Modifier and Type	Method	Description
ExportQE	run()	Execute this Command.

Methods inherited from class ffx.potential.cli.PotentialCommand

destroyPotentials, getActiveAssemblies, getActiveAssembly, getBaseDirString, getPotentials, init, setActiveAssembly

Methods inherited from class ffx.utilities.FFXCommand

getCommand, helpString, listCommands, setBinding

Methods inherited from class java.lang.Object

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

Constructor Details

ExportQE

public ExportQE()

ExportQE

public ExportQE(FFXBinding binding)

ExportQE

public ExportQE(String[] args)

Method Details

run

public ExportQE run()

Description copied from class: FFXCommand

Execute this Command.

Overrides:

run in class FFXCommand

Returns:

The current FFXCommand.