Files
openmm-torch/python/tests/TestInteroperability.py
Raimondas Galvelis 5dc727951b Fix interoperability with CustomCVForce (#80)
* Add a test with CustomCVForce

* Test all the platforms

* Add an iteroperability test for TorchANI and NNPOps

* Add a missing dependencies

* Skip for MacOS

* Move imports

* Fix import

* Retain the primary context

* Switch properly the contexts

* Set the oldest CUDA to 11.0

* Fix nvcc version

* Enable an extra check

* Clean up a temporary file

* Add more checks

* Add comments

* Remove a sync and clean up

* Move the primary context activation
2022-07-08 08:02:19 -07:00

2.6 KiB