def __init__(self, nodes=1, ppn=8, block=True, ncl=False, **kwargs):
Vasp.__init__(self, **kwargs)
self.nodes = nodes
self.ppn = ppn
self.block = block
self.ncl = ncl
self.calc_running = False
self.working_dir = os.getcwd()
def __init__(self, nodes=1, ppn=8, block=True, ncl=False, **kwargs):
Vasp.__init__(self, **kwargs)
self.nodes=nodes
self.ppn=ppn
self.block=block
self.ncl=ncl
self.calc_running=False
self.working_dir=os.getcwd()
def __init__(self,
restart=None,
output_template='vasp',
track_output=False,
**kwargs):
self.force_no_calc = False
self.vca=None
self.tempdir = None
Vasp.__init__(
self,
restart=None,
output_template='vasp',
track_output=False,
**kwargs)
self.commander = None