def setUp(self, **kwargs): from pele.optimize.tests.test_nfev import _PotWrapper natoms = 18 self.system = LJCluster(natoms) self.x = self.system.get_random_minimized_configuration( tol=100.).coords self.pot = _PotWrapper(self.system.get_potential())
def setUp(self): from pele.optimize.tests.test_nfev import _PotWrapper self.system = LJCluster(18) self.pot = _PotWrapper(self.system.get_potential())
def setUp(self): from pele.optimize.tests.test_nfev import _PotWrapper self.system = LJCluster(18) self.pot = _PotWrapper(self.system.get_potential()) self.x = self.system.get_random_minimized_configuration(tol=10.).coords
def setUp(self): from pele.optimize.tests.test_nfev import _PotWrapper np.random.seed(0) self.system = LJCluster(18) self.pot = _PotWrapper(self.system.get_potential()) self.x = self.system.get_random_minimized_configuration(tol=10.).coords
def setUp(self, **kwargs): from pele.optimize.tests.test_nfev import _PotWrapper natoms = 18 self.system = LJCluster(natoms) self.x = self.system.get_random_minimized_configuration(tol=100.).coords self.pot = _PotWrapper(self.system.get_potential())