def __init__(self, h2indices=[0,1], restart=None, ignore_bad_restart_file=False,
label=os.curdir, atoms=None, cubes=None, radmul=None,
tier=None, **kwargs):
Aims.__init__(self,restart=restart, ignore_bad_restart_file=\
ignore_bad_restart_file, label=label,atoms=atoms, \
cubes=cubes, radmul=radmul, tier=tier, **kwargs)
h2pes.pes_init()
self.h2indices = h2indices
implemented_properties = ['energy', 'forces', 'friction']
self.implemented_properties = implemented_properties
def __init__(self, nodes=1, ppn=8, **kwargs):
Aims.__init__(self, **kwargs)
self.nodes = nodes
self.ppn = ppn
def __init__(self, nodes=1, ppn=8, **kwargs):
Aims.__init__(self, **kwargs)
self.nodes=nodes
self.ppn=ppn
