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