def setUp(self): c1 = [[0.0, 0.0, 0.0]] q1 = [[1.0]] self.p1 = Potential.from_multipoles( c1, q1 ) c2 = [[5.4, 0.0, 0.0]] d2 = [[1.0, 1.0, 0.0]] self.p2 = Potential.from_multipoles( c2, d2 ) # a potential from a file self.pfile = Potential.from_file('pehf_iter.pot')
def setUp(self): c1 = [[0.0, 0.0, 0.0]] q1 = [[1.0]] self.p1 = Potential.from_multipoles(c1, q1) c2 = [[5.4, 0.0, 0.0]] d2 = [[1.0, 1.0, 0.0]] self.p2 = Potential.from_multipoles(c2, d2) # a potential from a file self.pfile = Potential.from_file('pehf_iter.pot')