Beispiel #1
0
 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()
Beispiel #2
0
 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()
Beispiel #3
0
    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