def __init__(self):
BaseOutput.__init__(self)
# dictionary with list of alternative property names,
# not case and white space sensitive:
self._propertyNamesDic = {
'single phonon':
['singlephonon', 'frequencies', 'freqs', 'freq', 'frequency'],
}
self.parsers = {'single phonon': self.getSinglePhonon}
def __init__(self):
BaseOutput.__init__(self)
# dictionary with list of alternative property names,
# not case and white space sensitive:
self._propertyNamesDic = { 'd3 tensor' : ['d3tensor', 'tensor'],
}
self.parsers = {
'd3 tensor' : self.getD3Tensor,
}
def __init__(self):
BaseOutput.__init__(self)
# dictionary with list of alternative property names,
# not case and white space sensitive:
self._propertyNamesDic = { 'electron dos' : ['dos', 'electrondos', 'electronicdos'],
}
self.parsers = {
'electron dos' : self.getDOS,
}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {
'total energy': self.getTotalEnergy,
'lattice parameters': self.getLatticeParameters,
'fermi energy': self.getFermiEnergy,
'stress': self.getStress,
'forces': self.getForces,
'bands': self.getBands,
}
def __init__(self):
BaseOutput.__init__(self)
# dictionary with list of alternative property names,
# not case and white space sensitive:
self._propertyNamesDic = { 'trajectory' : ['trajectory'],
}
self.parsers = {
'trajectory' : self.getTrajectory,
}
def __init__(self):
BaseOutput.__init__(self)
# dictionary with list of alternative property names,
# not case and white space sensitive:
self._propertyNamesDic = {
'electron dos': ['dos', 'electrondos', 'electronicdos'],
}
self.parsers = {
'electron dos': self.getDOS,
}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {
'total energy' : self.getTotalEnergy,
'lattice parameters' : self.getLatticeParameters,
'fermi energy' : self.getFermiEnergy,
'stress' : self.getStress,
'forces' : self.getForces,
'bands' : self.getBands,
}
def __init__(self):
BaseOutput.__init__(self)
# dictionary with list of alternative property names,
# not case and white space sensitive:
self._propertyNamesDic = {
'd3 tensor': ['d3tensor', 'tensor'],
}
self.parsers = {
'd3 tensor': self.getD3Tensor,
}
def __init__(self):
BaseOutput.__init__(self)
# dictionary with list of alternative property names,
# not case and white space sensitive:
self._propertyNamesDic = {
'trajectory': ['trajectory'],
}
self.parsers = {
'trajectory': self.getTrajectory,
}
def __init__(self):
BaseOutput.__init__(self)
# dictionary with list of alternative property names,
# not case and white space sensitive:
self._propertyNamesDic = { 'multi phonon' : ['multiphonon', 'modes', 'frequencies', 'freqs', 'freq', 'frequency'],
'phonon dos' : ['dos', 'phonondos',]
}
self.parsers = {
'multi phonon' : self.getMultiPhonon,
'phonon dos' : self.getPhononDOS
}
def __init__(self):
BaseOutput.__init__(self)
# dictionary with list of alternative property names,
# not case and white space sensitive:
self._propertyNamesDic = {
'q points': ['qpoints', 'q', 'points', 'q-points'],
}
self.parsers = {
#'qpoints' : self.getQpoints,
'qpoints': self.parse_qpoints_from_dyn
}
def __init__(self):
BaseOutput.__init__(self)
# dictionary with list of alternative property names,
# not case and white space sensitive:
self._propertyNamesDic = {
'multi phonon': [
'multiphonon', 'modes', 'frequencies', 'freqs', 'freq',
'frequency'
],
'phonon dos': [
'dos',
'phonondos',
]
}
self.parsers = {
'multi phonon': self.getMultiPhonon,
'phonon dos': self.getPhononDOS
}
def __init__(self):
BaseOutput.__init__(self)
# dictionary with list of alternative property names,
# not case and white space sensitive:
self._propertyNamesDic = { 'total energy' : ['totalenergy', 'energy', 'totalelectronicenergy'],
'fermi energy' : [ 'fermienergy', 'fermi'],
'lattice parameters': ['latticeparameters', 'lattice'],
'stress' : ['stress', 'stresses'],
'force' : [ 'force', 'forces'],
'bands' : ['bands', 'energybands'],
}
self.parsers = {
'total energy' : self.getTotalEnergy,
'lattice parameters' : self.getLatticeParameters,
'fermi energy' : self.getFermiEnergy,
'stress' : self.getStress,
'forces' : self.getForces,
'bands' : self.getBands,
}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {
'd3 tensor' : self.getD3Tensor,
}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {
'd3 tensor': self.getD3Tensor,
}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {
'single phonon' : self.getSinglePhonon
}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {
'multi phonon': self.getMultiPhonon,
'phonon dos': self.getPhononDOS
}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {
#'qpoints' : self.getQpoints,
'qpoints' : self.parse_qpoints_from_dyn
}
def __init__(self):
BaseOutput.__init__(self)
# dictionary with list of alternative property names,
# not case and white space sensitive:
self._propertyNamesDic = {"single phonon": ["singlephonon", "frequencies", "freqs", "freq", "frequency"]}
self.parsers = {"single phonon": self.getSinglePhonon}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {
#'qpoints' : self.getQpoints,
'qpoints': self.parse_qpoints_from_dyn
}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {
'multi phonon' : self.getMultiPhonon,
'phonon dos' : self.getPhononDOS
}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {
'dos' : self.getDOS
}
def __init__(self):
BaseOutput.__init__(self)
self.parsers = {'dos': self.getDOS}