NNPOps 0.3

This release brings the nearest neighbor operation NNPOps.neighbors.getNeighborPairs and a few bug fixes.

What's Changed

• Update README by @raimis in #52
• Fix and improve CI by @raimis in #56
• Nearest neighbor operation by @raimis in #58
• getNeighborPairs compute the displacement vector by @raimis in #61
• Use Mamba for CI by @raimis in #64
• Refactor the common code by @raimis in #65
• Fix the selection of the activation function in CFConv by @raimis in #67
• Workaround for pytorch bug by @peastman in #71
• Align SpeciesConverter return type with TorchANI version by @scal444 in #74
• Update the CI versions by @raimis in #75
• getNeighborPairs() supports periodic boundary conditions by @peastman in #70

New Contributors

• @scal444 made their first contribution in #74

Full Changelog: v0.2...v0.3