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Add cache management for _schwarz_screener_cache (unbounded memory growth)
enhancementNew feature or requestNew feature or requestStatus: Open.#247 In theochem/gbasis;[BUG] : Incorrect normalization in screening.py upper bound calculations
bugSomething isn't workingSomething isn't workingStatus: Open.#246 In theochem/gbasis;Typo: compute_contraction_upper_bond
bugSomething isn't workingSomething isn't workingStatus: Open.#243 In theochem/gbasis;- Status: Open.#230 In theochem/gbasis;
- Status: Open.#229 In theochem/gbasis;
WoC: Arbitrary-order Overlap Integrals (and evaluations enabled thereby)
enhancementNew feature or requestNew feature or requestStatus: Open.#220 In theochem/gbasis;[BUG] Electron repulsion energy
bugSomething isn't workingSomething isn't workingStatus: Open.#216 In theochem/gbasis;[REQUEST] Direct Support for Basis-Set-Exchange
enhancementNew feature or requestNew feature or requestgood first issueGood for newcomersGood for newcomersStatus: Open.#209 In theochem/gbasis;libcint/gbasis eri tolerance is 1e-4?
questionFurther information is requestedFurther information is requestedStatus: Open.#208 In theochem/gbasis;[REQUEST]Split
from_iodataandfrom_pyscfwrappers into two independent modulesenhancementNew feature or requestNew feature or requestStatus: Open.#198 In theochem/gbasis;[REQUEST] Allow Gbasis to use normalized primitive contraction coefficients
enhancementNew feature or requestNew feature or requestStatus: Open.#197 In theochem/gbasis;[REQUEST] Get pre-commit.ci up and running (without errors)
enhancementNew feature or requestNew feature or requestStatus: Open.#192 In theochem/gbasis;