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* Use PyTorch's TestCase to compare tensor

* save

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* Update test_energies.py

* Update test_ase.py

* save

* flake8

* Remove test gradient from aev tests

* Add a dedicated test gradient for one model, and make it feasible

* add test_grad to unittests

* Add some comments and fix formatting

* flake8

* flake8

* remove unused var

* delete transform function, which was legacy from old pytorch probably

* Delete random_skip function, which was unused

* Allow testNeuroChem to use cuda if available, which makes it much faster

* small modification for consistency

* remove unused import

* simplify device call

* remove unused variable

* add main to test_grad

* Refactor BuiltinNet into BuiltinModel and BuiltinEnsemble

* Change test name

* flake8 whitespace

* Get rid of redundant comparison

* remove unused import

* Fix info file bug

* flake8

* don't use nonlocal on get_resource

* Revert "don't use nonlocal on get_resource"

This reverts commit efe221bb4f7ce4a1ccb8c3c73b886bdbad019ab0.

* Fix get_resource bug

* Add missing init call

* Fix species_to_tensor bug

* Add species attribute

* Add some extra attributes

* Fix bug in getitem

* Always assign species_converter

* Species to tensor is also an entry point

* Lets not make it an entry point for now

* delete duplicated definition

* Support  periodic table Indexing in builtin models

* flake8

* more

* fix

* fix cuda