pymatgen.analysis.diffusion.aimd.tests.test_van_hove module

class EvolutionAnalyzerTest(methodName='runTest')

Bases: TestCase

Create an instance of the class that will use the named test method when executed. Raises a ValueError if the instance does not have a method with the specified name.

test_get_df()

class RDFTest(methodName='runTest')

Bases: TestCase

Create an instance of the class that will use the named test method when executed. Raises a ValueError if the instance does not have a method with the specified name.

setUp()

Hook method for setting up the test fixture before exercising it.

test_raises_ValueError_if_reference_species_not_in_structure()

test_raises_ValueError_if_sigma_is_not_positive()

test_raises_ValueError_if_species_not_in_structure()

test_raises_valueerror_if_ngrid_is_less_than_2()

test_rdf()

test_rdf_coordination_number()

test_rdf_two_species_coordination_number()

class VanHoveTest(methodName='runTest')

Bases: TestCase

Create an instance of the class that will use the named test method when executed. Raises a ValueError if the instance does not have a method with the specified name.

test_van_hove()