def test_elastic_constants(self): for pot, par, mats in tests: test_cubic_elastic_constants(mats, pot, par, sx, dev_thres, test=self)
dict( name="dia-Si-C", struct=B3( [ "Si", "C" ], latticeconstant=4.3596, size=[sx,sx,sx]), Ec=6.165, a0=4.321, C11=437, C12=118, C440=311, B=224 ), ] ), ] ### class TestElasticConstants(unittest.TestCase): def test_elastic_constants(self): for pot, par, mats in tests: test_cubic_elastic_constants(mats, pot, par, sx, dev_thres, test=self) ### if __name__ == '__main__': for pot, par, mats in tests: if len(sys.argv) > 1: found = False if par is not None: for keyword in sys.argv[1:]: if '__ref__' in par: if par['__ref__'].lower().find(keyword.lower()) != -1: found = True if not found: continue test_cubic_elastic_constants(mats, pot, par, sx, dev_thres)