Exemplo n.º 1
0
 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())
Exemplo n.º 2
0
 def setUp(self):
     from pele.optimize.tests.test_nfev import _PotWrapper
     self.system = LJCluster(18)
     self.pot = _PotWrapper(self.system.get_potential())
Exemplo n.º 3
0
 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
Exemplo n.º 4
0
    def setUp(self):
        from pele.optimize.tests.test_nfev import _PotWrapper

        self.system = LJCluster(18)
        self.pot = _PotWrapper(self.system.get_potential())
Exemplo n.º 5
0
 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())