Closed zasdfgbnm closed 3 years ago
modifications to make tests faster
Now ani1x is not loaded for any aev_computer necessary
flake*
Avoid test warnings by loading from json and setting initial velocities to a small number
Avoid loading from cif in ManualMirror and Repeat also
Add comments to clarify test_energies and delete unused variable
Fix inaccurate comment
Delete unused variable in test_ensemble
Add comments and clarifications to test_ase
flake8
modifications to make tests faster
Now ani1x is not loaded for any aev_computer necessary
flake*
Avoid test warnings by loading from json and setting initial velocities to a small number
Avoid loading from cif in ManualMirror and Repeat also
Add comments to clarify test_energies and delete unused variable
Fix inaccurate comment
Delete unused variable in test_ensemble
Add comments and clarifications to test_ase
flake8