aiida_crystal17.tests.test_workflows package

Submodules

aiida_crystal17.tests.test_workflows.test_crystal_main module

aiida_crystal17.tests.test_workflows.test_crystal_props module

aiida_crystal17.tests.test_workflows.test_crystal_props.test_init_prop_steps(db_test_app, data_regression)

test the workchains initial setup and validation steps

aiida_crystal17.tests.test_workflows.test_crystal_props.test_run_prop_mgo_no_scf(db_test_app, get_structure_and_symm, upload_basis_set_family, data_regression)

test the workchains when a remote folder is supplied that contains the wavefunction file

aiida_crystal17.tests.test_workflows.test_crystal_props.test_run_prop_mgo_with_scf(db_test_app, get_structure_and_symm, upload_basis_set_family, data_regression)

test the workchains when a remote folder is supplied that does not contain the wavefunction file

aiida_crystal17.tests.test_workflows.test_symmetrise_3d_struct module

Module contents