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Analytical tests for SqRA and MSM implementations
testSome feature avaiting testing.Some feature avaiting testing.Status: Open.#41 In bkellerlab/molecularRotationalGrids;Introduce an option to use reduction of state space due to symmetry
enhancementNew feature or requestNew feature or requestStatus: Open.#35 In bkellerlab/molecularRotationalGrids;Introduce an option to remove structures with overlapping atoms
enhancementNew feature or requestNew feature or requestStatus: Open.#32 In bkellerlab/molecularRotationalGrids;Parallelisation of PTs
optimiseFind bottlenecks, check speed or improve performance.Find bottlenecks, check speed or improve performance.Status: Open.#24 In bkellerlab/molecularRotationalGrids;Check how quickly you can rotate 1000 atoms
optimiseFind bottlenecks, check speed or improve performance.Find bottlenecks, check speed or improve performance.Status: Open.#13 In bkellerlab/molecularRotationalGrids;