atomate.vasp.workflows.tests package

Submodules

atomate.vasp.workflows.tests.test_adsorbate_workflow module

class atomate.vasp.workflows.tests.test_adsorbate_workflow.TestAdsorptionWorkflow(methodName='runTest')

Bases: unittest.case.TestCase

setUp()

classmethod setUpClass()

tearDown()

test_wf()

atomate.vasp.workflows.tests.test_elastic_workflow module

class atomate.vasp.workflows.tests.test_elastic_workflow.TestElasticWorkflow(methodName='runTest')

Bases: unittest.case.TestCase

setUp()

classmethod setUpClass()

tearDown()

test_wf()

atomate.vasp.workflows.tests.test_neb_workflow module

class atomate.vasp.workflows.tests.test_neb_workflow.TestNudgedElasticBandWorkflow(methodName='runTest')

Bases: unittest.case.TestCase

setUp()

Basic check for scratch directory and launchpad configurations. Launchpad will be reset.

classmethod setUpClass()

1. Basic check for pymatgen configurations.
2. Setup all test workflow.

tearDown()

test_wf()

atomate.vasp.workflows.tests.test_raman_workflow module

class atomate.vasp.workflows.tests.test_raman_workflow.TestRamanWorkflow(methodName='runTest')

Bases: unittest.case.TestCase

setUp()

classmethod setUpClass()

tearDown()

test_wf()

atomate.vasp.workflows.tests.test_vasp_workflows module

class atomate.vasp.workflows.tests.test_vasp_workflows.TestVaspWorkflows(methodName='runTest')

Bases: unittest.case.TestCase

setUp()

classmethod setUpClass()

tearDown()

test_bandgap_check_Vasp()

test_bandstructure_Vasp()

test_single_Vasp()

test_single_Vasp_dbinsertion()

test_trackers()

Module contents