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Add an FHI-Aims recipe to reproduce Ceriotti's MAD dataset
enhancementNew feature or requestNew feature or requestStatus: Open.#3425 In Quantum-Accelerators/quacc;Add a agents/claude.md file
enhancementNew feature or requestNew feature or requestStatus: Open.#3154 In Quantum-Accelerators/quacc;- Status: Open.#2510 In Quantum-Accelerators/quacc;
- Status: Open.#2501 In Quantum-Accelerators/quacc;
[Proposal]: Better handling of MD-type jobs where a termination may not be a failure
enhancementNew feature or requestNew feature or requestStatus: Open.#2408 In Quantum-Accelerators/quacc;Ensure
PARSL_MPI_PREFIXis resolved for all MPI calculatorsenhancementNew feature or requestNew feature or requestStatus: Open.#2203 In Quantum-Accelerators/quacc;The function signature when supplying
parsl_resource_specificationis hackyhousekeepingThings to tidy up that are otherwise kind of boringThings to tidy up that are otherwise kind of boringStatus: Open.#2168 In Quantum-Accelerators/quacc;Parsl: Switch to
MPIExecutorin the tutorials for MPI tasksdocumentationImprovements or additions to documentationImprovements or additions to documentationStatus: Open.#2116 In Quantum-Accelerators/quacc;Bug risk: Using
customize_funcs()with Dask to update the parameters of a@flowor@subflowbugSomething isn't workingSomething isn't workingStatus: Open.#1865 In Quantum-Accelerators/quacc;Parse and store the full trajectory for an "internal" relaxation when using the
summarize_runschemaenhancementNew feature or requestNew feature or requestStatus: Open.#1451 In Quantum-Accelerators/quacc;