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MTD timings in output for runs that finish early
questionFurther information is requestedFurther information is requestedStatus: Open.#489 In crest-lab/crest;- Status: Open.#488 In crest-lab/crest;
CREST 3.1.0 release timeline and g-xTB support
enhancementNew feature or requestNew feature or requestStatus: Open.#485 In crest-lab/crest;QCG module fails on example
bugSomething isn't workingSomething isn't workingStatus: Open.#482 In crest-lab/crest;Create a box around the constrained part of the system to attach the ligand
enhancementNew feature or requestNew feature or requestStatus: Open.#481 In crest-lab/crest;Conformer search with spin-polarized GFN2-xTB
enhancementNew feature or requestNew feature or requestStatus: Open.#480 In crest-lab/crest;Heap corruption and crashes with SDF input in --entropy --gfnff runs
bugSomething isn't workingSomething isn't workingStatus: Open.#479 In crest-lab/crest;Build issues with gfnff_api
bugSomething isn't workingSomething isn't workingStatus: Open.#478 In crest-lab/crest;"SIGSEGV: Segmentation fault - invalid memory reference" for --entropy Option
bugSomething isn't workingSomething isn't workingStatus: Open.#477 In crest-lab/crest;Custom dielectric constants for implicit solvation
questionFurther information is requestedFurther information is requestedStatus: Open.#476 In crest-lab/crest;wrong keyword highlighted
enhancementNew feature or requestNew feature or requestStatus: Open.#473 In crest-lab/crest;Coord file (Turbomole) assumed to be in Bohr
bugSomething isn't workingSomething isn't workingStatus: Open.#472 In crest-lab/crest;