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minimum_image_displacementonly valid for orthogonal cellsbugSomething isn't workingSomething isn't workingStatus: Open.#592 In TorchSim/torch-sim;Per-system pbc: batching periodic and non-periodic systems together
enhancementNew feature or requestNew feature or requestStatus: Open.#584 In TorchSim/torch-sim;Plans for conda packaging?
help wantedExtra attention is neededExtra attention is neededpkgPackagingPackagingStatus: Open.#563 In TorchSim/torch-sim;- Status: Open.#549 In TorchSim/torch-sim;
Expose
max_neighborsargument forbatch_naive_neighbor_listapiAPI design discussionsAPI design discussionshelp wantedExtra attention is neededExtra attention is neededStatus: Open.#545 In TorchSim/torch-sim;- Status: Open.#536 In TorchSim/torch-sim;
- Status: Open.#529 In TorchSim/torch-sim;
Update deformation gradient logic
enhancementNew feature or requestNew feature or requestStatus: Open.#503 In TorchSim/torch-sim;Setup bug bots
bugSomething isn't workingSomething isn't workingciContinuous integrationContinuous integrationdxDeveloper experienceDeveloper experienceStatus: Open.#472 In TorchSim/torch-sim;- Status: Open.#422 In TorchSim/torch-sim;
Feature suggestion: lifecycle hooks for user-defined callbacks during simulations
apiAPI design discussionsAPI design discussionsecosystemComp-chem ecosystem relatedComp-chem ecosystem relatedenhancementNew feature or requestNew feature or requestfeatureEntirely new features, not improvements to existing onesEntirely new features, not improvements to existing onesStatus: Open.#397 In TorchSim/torch-sim;Run tests on GPU
ml-eng-friendlyContributors would benefit from having machine learning backgroundContributors would benefit from having machine learning backgroundtestsTest all the thingsTest all the thingsStatus: Open.#371 In TorchSim/torch-sim;