class DynmatTask(QETask):
def __init__(self, filename=None, configString=None, cleanOutDir=None):
QETask.__init__(self, filename, configString, cleanOutDir)
#self.name = 'dynmat.x'
configDic = {'dynmatInput': 'dynmat.in', 'dynmatOutput': 'dynmat.out'}
self.setting.section(self.name(), configDic)
self.input = QEInput(filename=self.setting.dynmatInput, type='dynmat')
self.output = QEOutput(self.setting, type='dynmat')
#self._cmdStr = "dynmat.x < " + self.setting.dynmatInput
#+ " > " + \
# self.setting.dynmatOutput
def cmdLine(self):
return "dynmat.x < " + self.setting.dynmatInput
def name(self):
return 'dynmat.x'
def _syncSetting(self):
"""
When this method is called on launch(), the input file is already
parsed and will be saved before the run...
"""
self.input.namelist('input').remove('filout')
self.input.namelist('input').add('filout', self.setting.dynmatOutput)
class DynmatTask(QETask):
def __init__(self, filename = None,configString = None, cleanOutDir = None):
QETask.__init__(self, filename, configString, cleanOutDir)
#self.name = 'dynmat.x'
configDic = {
'dynmatInput': 'dynmat.in',
'dynmatOutput': 'dynmat.out'
}
self.setting.section(self.name(), configDic)
self.input = QEInput(filename = self.setting.dynmatInput, type = 'dynmat')
self.output = QEOutput(self.setting, type = 'dynmat')
#self._cmdStr = "dynmat.x < " + self.setting.dynmatInput
#+ " > " + \
# self.setting.dynmatOutput
def cmdLine(self):
return "dynmat.x < " + self.setting.dynmatInput
def name(self):
return 'dynmat.x'
def _syncSetting(self):
"""
When this method is called on launch(), the input file is already
parsed and will be saved before the run...
"""
self.input.namelist('input').remove('filout')
self.input.namelist('input').add('filout', self.setting.dynmatOutput)
class DOSTask(QETask):
def __init__(self, filename = None,configString = None, cleanOutDir = None):
QETask.__init__(self, filename, configString, cleanOutDir)
#self.name = 'dos.x'
# pwscf input and output
configDic = {
'dosInput' : 'dos.in',
'dosOutput': 'dos.out',
'fldos' : 'fldos.dos'
}
self.setting.section(self.name(), configDic)
self.input = QEInput(self.setting.dosInput, type = 'dos')
self.output = QEOutput(self.setting, type='dos')
# self._cmdStr = self.setting.paraPrefix + " dos.x " + \
# " -inp " + \
# self.setting.dosInput + " > " + \
# self.setting.dosOutput + "< /dev/null"
def cmdLine(self):
return self.setting.paraPrefix + " dos.x " + \
" -inp " + \
self.setting.dosInput + " > " + \
self.setting.dosOutput + "< /dev/null"
def name(self):
return 'dos.x'
def _syncSetting(self):
"""
When this method is called on launch(), the input file is already
parsed and will be saved before the run...
"""
self.input.namelist('inputpp').add('outdir', \
"'" + self.setting.outDir + "'")
class DOSTask(QETask):
def __init__(self, filename=None, configString=None, cleanOutDir=None):
QETask.__init__(self, filename, configString, cleanOutDir)
#self.name = 'dos.x'
# pwscf input and output
configDic = {
'dosInput': 'dos.in',
'dosOutput': 'dos.out',
'fldos': 'fldos.dos'
}
self.setting.section(self.name(), configDic)
self.input = QEInput(self.setting.dosInput, type='dos')
self.output = QEOutput(self.setting, type='dos')
# self._cmdStr = self.setting.paraPrefix + " dos.x " + \
# " -inp " + \
# self.setting.dosInput + " > " + \
# self.setting.dosOutput + "< /dev/null"
def cmdLine(self):
return self.setting.paraPrefix + " dos.x " + \
" -inp " + \
self.setting.dosInput + " > " + \
self.setting.dosOutput + "< /dev/null"
def name(self):
return 'dos.x'
def _syncSetting(self):
"""
When this method is called on launch(), the input file is already
parsed and will be saved before the run...
"""
self.input.namelist('inputpp').add('outdir', \
"'" + self.setting.outDir + "'")
