consolidate tests

MolSSI · Apr 17, 2024 · 48dfa2c · 48dfa2c
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diff --git a/qcmanybody/models/addons.py → qcmanybody/tests/addons.py b/qcmanybody/models/addons.py → qcmanybody/tests/addons.py
diff --git a/tests/common.py → qcmanybody/tests/common.py b/tests/common.py → qcmanybody/tests/common.py
diff --git a/...t_data/h2o_trimer_multi_energy_1.json.zst → ...t_data/h2o_trimer_multi_energy_1.json.zst b/...t_data/h2o_trimer_multi_energy_1.json.zst → ...t_data/h2o_trimer_multi_energy_1.json.zst
diff --git a/...t_data/h2o_trimer_multi_energy_2.json.zst → ...t_data/h2o_trimer_multi_energy_2.json.zst b/...t_data/h2o_trimer_multi_energy_2.json.zst → ...t_data/h2o_trimer_multi_energy_2.json.zst
diff --git a/...data/h2o_trimer_multi_gradient_1.json.zst → ...data/h2o_trimer_multi_gradient_1.json.zst b/...data/h2o_trimer_multi_gradient_1.json.zst → ...data/h2o_trimer_multi_gradient_1.json.zst
diff --git a/...data/h2o_trimer_multi_gradient_2.json.zst → ...data/h2o_trimer_multi_gradient_2.json.zst b/...data/h2o_trimer_multi_gradient_2.json.zst → ...data/h2o_trimer_multi_gradient_2.json.zst
diff --git a/..._data/h2o_trimer_multi_hessian_1.json.zst → ..._data/h2o_trimer_multi_hessian_1.json.zst b/..._data/h2o_trimer_multi_hessian_1.json.zst → ..._data/h2o_trimer_multi_hessian_1.json.zst
diff --git a/..._data/h2o_trimer_multi_hessian_2.json.zst → ..._data/h2o_trimer_multi_hessian_2.json.zst b/..._data/h2o_trimer_multi_hessian_2.json.zst → ..._data/h2o_trimer_multi_hessian_2.json.zst
diff --git a/...ata/h2o_trimer_multi_ss_energy_1.json.zst → ...ata/h2o_trimer_multi_ss_energy_1.json.zst b/...ata/h2o_trimer_multi_ss_energy_1.json.zst → ...ata/h2o_trimer_multi_ss_energy_1.json.zst
diff --git a/...ata/h2o_trimer_multi_ss_energy_2.json.zst → ...ata/h2o_trimer_multi_ss_energy_2.json.zst b/...ata/h2o_trimer_multi_ss_energy_2.json.zst → ...ata/h2o_trimer_multi_ss_energy_2.json.zst
diff --git a/...a/h2o_trimer_multi_ss_gradient_1.json.zst → ...a/h2o_trimer_multi_ss_gradient_1.json.zst b/...a/h2o_trimer_multi_ss_gradient_1.json.zst → ...a/h2o_trimer_multi_ss_gradient_1.json.zst
diff --git a/...a/h2o_trimer_multi_ss_gradient_2.json.zst → ...a/h2o_trimer_multi_ss_gradient_2.json.zst b/...a/h2o_trimer_multi_ss_gradient_2.json.zst → ...a/h2o_trimer_multi_ss_gradient_2.json.zst
diff --git a/...ta/h2o_trimer_multi_ss_hessian_1.json.zst → ...ta/h2o_trimer_multi_ss_hessian_1.json.zst b/...ta/h2o_trimer_multi_ss_hessian_1.json.zst → ...ta/h2o_trimer_multi_ss_hessian_1.json.zst
diff --git a/...ta/h2o_trimer_multi_ss_hessian_2.json.zst → ...ta/h2o_trimer_multi_ss_hessian_2.json.zst b/...ta/h2o_trimer_multi_ss_hessian_2.json.zst → ...ta/h2o_trimer_multi_ss_hessian_2.json.zst
diff --git a/..._data/h2o_trimer_single_energy_1.json.zst → ..._data/h2o_trimer_single_energy_1.json.zst b/..._data/h2o_trimer_single_energy_1.json.zst → ..._data/h2o_trimer_single_energy_1.json.zst
diff --git a/..._data/h2o_trimer_single_energy_2.json.zst → ..._data/h2o_trimer_single_energy_2.json.zst b/..._data/h2o_trimer_single_energy_2.json.zst → ..._data/h2o_trimer_single_energy_2.json.zst
diff --git a/...ata/h2o_trimer_single_gradient_1.json.zst → ...ata/h2o_trimer_single_gradient_1.json.zst b/...ata/h2o_trimer_single_gradient_1.json.zst → ...ata/h2o_trimer_single_gradient_1.json.zst
diff --git a/...ata/h2o_trimer_single_gradient_2.json.zst → ...ata/h2o_trimer_single_gradient_2.json.zst b/...ata/h2o_trimer_single_gradient_2.json.zst → ...ata/h2o_trimer_single_gradient_2.json.zst
diff --git a/...data/h2o_trimer_single_hessian_1.json.zst → ...data/h2o_trimer_single_hessian_1.json.zst b/...data/h2o_trimer_single_hessian_1.json.zst → ...data/h2o_trimer_single_hessian_1.json.zst
diff --git a/...data/h2o_trimer_single_hessian_2.json.zst → ...data/h2o_trimer_single_hessian_2.json.zst b/...data/h2o_trimer_single_hessian_2.json.zst → ...data/h2o_trimer_single_hessian_2.json.zst
diff --git a/tests/generate_component_data.py → qcmanybody/tests/generate_component_data.py b/tests/generate_component_data.py → qcmanybody/tests/generate_component_data.py
diff --git a/.../ref_data/h2o_trimer_multi_gradient_1.inp → .../ref_data/h2o_trimer_multi_gradient_1.inp b/.../ref_data/h2o_trimer_multi_gradient_1.inp → .../ref_data/h2o_trimer_multi_gradient_1.inp
diff --git a/...data/h2o_trimer_multi_gradient_1.json.zst → ...data/h2o_trimer_multi_gradient_1.json.zst b/...data/h2o_trimer_multi_gradient_1.json.zst → ...data/h2o_trimer_multi_gradient_1.json.zst
diff --git a/..._data/h2o_trimer_multi_gradient_1.out.zst → ..._data/h2o_trimer_multi_gradient_1.out.zst b/..._data/h2o_trimer_multi_gradient_1.out.zst → ..._data/h2o_trimer_multi_gradient_1.out.zst
diff --git a/.../ref_data/h2o_trimer_multi_gradient_2.inp → .../ref_data/h2o_trimer_multi_gradient_2.inp b/.../ref_data/h2o_trimer_multi_gradient_2.inp → .../ref_data/h2o_trimer_multi_gradient_2.inp
diff --git a/...data/h2o_trimer_multi_gradient_2.json.zst → ...data/h2o_trimer_multi_gradient_2.json.zst b/...data/h2o_trimer_multi_gradient_2.json.zst → ...data/h2o_trimer_multi_gradient_2.json.zst
diff --git a/..._data/h2o_trimer_multi_gradient_2.out.zst → ..._data/h2o_trimer_multi_gradient_2.out.zst b/..._data/h2o_trimer_multi_gradient_2.out.zst → ..._data/h2o_trimer_multi_gradient_2.out.zst
diff --git a/...s/ref_data/h2o_trimer_multi_hessian_1.inp → ...s/ref_data/h2o_trimer_multi_hessian_1.inp b/...s/ref_data/h2o_trimer_multi_hessian_1.inp → ...s/ref_data/h2o_trimer_multi_hessian_1.inp
diff --git a/...s/ref_data/h2o_trimer_multi_hessian_2.inp → ...s/ref_data/h2o_trimer_multi_hessian_2.inp b/...s/ref_data/h2o_trimer_multi_hessian_2.inp → ...s/ref_data/h2o_trimer_multi_hessian_2.inp
diff --git a/...f_data/h2o_trimer_multi_ss_gradient_1.inp → ...f_data/h2o_trimer_multi_ss_gradient_1.inp b/...f_data/h2o_trimer_multi_ss_gradient_1.inp → ...f_data/h2o_trimer_multi_ss_gradient_1.inp
diff --git a/...a/h2o_trimer_multi_ss_gradient_1.json.zst → ...a/h2o_trimer_multi_ss_gradient_1.json.zst b/...a/h2o_trimer_multi_ss_gradient_1.json.zst → ...a/h2o_trimer_multi_ss_gradient_1.json.zst
diff --git a/...ta/h2o_trimer_multi_ss_gradient_1.out.zst → ...ta/h2o_trimer_multi_ss_gradient_1.out.zst b/...ta/h2o_trimer_multi_ss_gradient_1.out.zst → ...ta/h2o_trimer_multi_ss_gradient_1.out.zst
diff --git a/...f_data/h2o_trimer_multi_ss_gradient_2.inp → ...f_data/h2o_trimer_multi_ss_gradient_2.inp b/...f_data/h2o_trimer_multi_ss_gradient_2.inp → ...f_data/h2o_trimer_multi_ss_gradient_2.inp
diff --git a/...a/h2o_trimer_multi_ss_gradient_2.json.zst → ...a/h2o_trimer_multi_ss_gradient_2.json.zst b/...a/h2o_trimer_multi_ss_gradient_2.json.zst → ...a/h2o_trimer_multi_ss_gradient_2.json.zst
diff --git a/...ta/h2o_trimer_multi_ss_gradient_2.out.zst → ...ta/h2o_trimer_multi_ss_gradient_2.out.zst b/...ta/h2o_trimer_multi_ss_gradient_2.out.zst → ...ta/h2o_trimer_multi_ss_gradient_2.out.zst
diff --git a/...ef_data/h2o_trimer_multi_ss_hessian_1.inp → ...ef_data/h2o_trimer_multi_ss_hessian_1.inp b/...ef_data/h2o_trimer_multi_ss_hessian_1.inp → ...ef_data/h2o_trimer_multi_ss_hessian_1.inp
diff --git a/...ef_data/h2o_trimer_multi_ss_hessian_2.inp → ...ef_data/h2o_trimer_multi_ss_hessian_2.inp b/...ef_data/h2o_trimer_multi_ss_hessian_2.inp → ...ef_data/h2o_trimer_multi_ss_hessian_2.inp
diff --git a/...ref_data/h2o_trimer_single_gradient_1.inp → ...ref_data/h2o_trimer_single_gradient_1.inp b/...ref_data/h2o_trimer_single_gradient_1.inp → ...ref_data/h2o_trimer_single_gradient_1.inp
diff --git a/...ata/h2o_trimer_single_gradient_1.json.zst → ...ata/h2o_trimer_single_gradient_1.json.zst b/...ata/h2o_trimer_single_gradient_1.json.zst → ...ata/h2o_trimer_single_gradient_1.json.zst
diff --git a/...data/h2o_trimer_single_gradient_1.out.zst → ...data/h2o_trimer_single_gradient_1.out.zst b/...data/h2o_trimer_single_gradient_1.out.zst → ...data/h2o_trimer_single_gradient_1.out.zst
diff --git a/...ref_data/h2o_trimer_single_gradient_2.inp → ...ref_data/h2o_trimer_single_gradient_2.inp b/...ref_data/h2o_trimer_single_gradient_2.inp → ...ref_data/h2o_trimer_single_gradient_2.inp
diff --git a/...ata/h2o_trimer_single_gradient_2.json.zst → ...ata/h2o_trimer_single_gradient_2.json.zst b/...ata/h2o_trimer_single_gradient_2.json.zst → ...ata/h2o_trimer_single_gradient_2.json.zst
diff --git a/...data/h2o_trimer_single_gradient_2.out.zst → ...data/h2o_trimer_single_gradient_2.out.zst b/...data/h2o_trimer_single_gradient_2.out.zst → ...data/h2o_trimer_single_gradient_2.out.zst
diff --git a/.../ref_data/h2o_trimer_single_hessian_1.inp → .../ref_data/h2o_trimer_single_hessian_1.inp b/.../ref_data/h2o_trimer_single_hessian_1.inp → .../ref_data/h2o_trimer_single_hessian_1.inp
diff --git a/...data/h2o_trimer_single_hessian_1.json.zst → ...data/h2o_trimer_single_hessian_1.json.zst b/...data/h2o_trimer_single_hessian_1.json.zst → ...data/h2o_trimer_single_hessian_1.json.zst
diff --git a/..._data/h2o_trimer_single_hessian_1.out.zst → ..._data/h2o_trimer_single_hessian_1.out.zst b/..._data/h2o_trimer_single_hessian_1.out.zst → ..._data/h2o_trimer_single_hessian_1.out.zst
diff --git a/.../ref_data/h2o_trimer_single_hessian_2.inp → .../ref_data/h2o_trimer_single_hessian_2.inp b/.../ref_data/h2o_trimer_single_hessian_2.inp → .../ref_data/h2o_trimer_single_hessian_2.inp
diff --git a/...data/h2o_trimer_single_hessian_2.json.zst → ...data/h2o_trimer_single_hessian_2.json.zst b/...data/h2o_trimer_single_hessian_2.json.zst → ...data/h2o_trimer_single_hessian_2.json.zst
diff --git a/..._data/h2o_trimer_single_hessian_2.out.zst → ..._data/h2o_trimer_single_hessian_2.out.zst b/..._data/h2o_trimer_single_hessian_2.out.zst → ..._data/h2o_trimer_single_hessian_2.out.zst
diff --git a/qcmanybody/models/test_mbe_he4_multilevel.py → qcmanybody/tests/test_mbe_he4_multilevel.py b/qcmanybody/models/test_mbe_he4_multilevel.py → qcmanybody/tests/test_mbe_he4_multilevel.py
diff --git a/...nybody/models/test_mbe_he4_singlelevel.py → qcmanybody/tests/test_mbe_he4_singlelevel.py b/...nybody/models/test_mbe_he4_singlelevel.py → qcmanybody/tests/test_mbe_he4_singlelevel.py
diff --git a/qcmanybody/models/test_mbe_keywords.py → qcmanybody/tests/test_mbe_keywords.py b/qcmanybody/models/test_mbe_keywords.py → qcmanybody/tests/test_mbe_keywords.py
diff --git a/tests/test_multi.py → qcmanybody/tests/test_multi.py b/tests/test_multi.py → qcmanybody/tests/test_multi.py
diff --git a/tests/test_multi_ss.py → qcmanybody/tests/test_multi_ss.py b/tests/test_multi_ss.py → qcmanybody/tests/test_multi_ss.py
diff --git a/tests/test_single.py → qcmanybody/tests/test_single.py b/tests/test_single.py → qcmanybody/tests/test_single.py
diff --git a/qcmanybody/models/test_utils.py → qcmanybody/tests/test_utils.py b/qcmanybody/models/test_utils.py → qcmanybody/tests/test_utils.py
diff --git a/tests/utils.py → qcmanybody/tests/utils.py b/tests/utils.py → qcmanybody/tests/utils.py