Python _ErrorPotential Examples

Example #1

 def test_raises(self):
     pot = _lj_cpp._ErrorPotential()
     with self.assertRaises(RuntimeError):
         modified_fire = ModifiedFireCPP(_xrand, pot)
         modified_fire.run()

Example #2

 def test_raises(self):
     pot = _lj_cpp._ErrorPotential()
     with self.assertRaises(RuntimeError):
         lbfgs = LBFGS_CPP(_xrand, pot)
         lbfgs.run()

Example #3

File: test_lbfgs_cpp.py Project: dimaslave/pele

 def test_raises(self):
     pot = _lj_cpp._ErrorPotential()
     with self.assertRaises(RuntimeError):
         lbfgs = LBFGS_CPP(_xrand, pot)
         lbfgs.run()

Example #4

 def setUp(self):
     self.pot = _lj_cpp._ErrorPotential()
     self.x = np.random.uniform(-1, 1, [9])

Example #5

File: test_pycg_descent.py Project: spraharsh/PyCG_DESCENT

 def test_raises(self):
     pot = _lj_cpp._ErrorPotential()
     with self.assertRaises(RuntimeError):
         cgd = CGDescent(_xrand, pot)
         cgd.run()

Example #6

File: test_lj_cpp.py Project: jaotta/pele

 def setUp(self):
     self.pot = _lj_cpp._ErrorPotential()
     self.x = np.random.uniform(-1, 1, [9])