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- Status: Open.#1417 In grimme-lab/xtb;
- Status: Open.#1412 In grimme-lab/xtb;
Incorrect checksum for Linux build of 6.7.1
unconfirmedThis report has not yet been confirmed by the developersThis report has not yet been confirmed by the developersStatus: Open.#1411 In grimme-lab/xtb;xTB bug with v6.7.1 from Conda
unconfirmedThis report has not yet been confirmed by the developersThis report has not yet been confirmed by the developersStatus: Open.#1410 In grimme-lab/xtb;Infinite entropy for monoatomic systems with implicit solvation
unconfirmedThis report has not yet been confirmed by the developersThis report has not yet been confirmed by the developersStatus: Open.#1409 In grimme-lab/xtb;<< Module dock: don't want to "connect" >>
method: aiSSIssues related to the aiSS docking moduleIssues related to the aiSS docking modulesubprogramRelated to an xTB subprogram (e.g. thermo, dock or dipro)Related to an xTB subprogram (e.g. thermo, dock or dipro)Status: Open.#1407 In grimme-lab/xtb;Intermittent segfault using --bhess
buildBuild system related issues (OS, compilers, meson)Build system related issues (OS, compilers, meson)Status: Open.#1391 In grimme-lab/xtb;ifx 2025.3 cannot compile generate_wsc.f90
unconfirmedThis report has not yet been confirmed by the developersThis report has not yet been confirmed by the developersStatus: Open.#1390 In grimme-lab/xtb;File descriptor leak in C-API
C-APIConcerns the ISO-C layerConcerns the ISO-C layerunconfirmedThis report has not yet been confirmed by the developersThis report has not yet been confirmed by the developersStatus: Open.#1388 In grimme-lab/xtb;gfn2 failing with 6.7.1 in windows conda
unconfirmedThis report has not yet been confirmed by the developersThis report has not yet been confirmed by the developersStatus: Open.#1386 In grimme-lab/xtb;GFN-FF: --grad can produce NaN/exploding gradients for exactly collinear/degenerate linear fragments (CO₂); tiny perturbation removes NaNs
method: GFN-FFRelated to the GFN-FF methodRelated to the GFN-FF methodunconfirmedThis report has not yet been confirmed by the developersThis report has not yet been confirmed by the developersStatus: Open.#1384 In grimme-lab/xtb;Stars instead of numbers in the geom-opt task in periodic SCF FF (--gnfff) calculation.
method: GFN-FFRelated to the GFN-FF methodRelated to the GFN-FF methodunconfirmedThis report has not yet been confirmed by the developersThis report has not yet been confirmed by the developersStatus: Open.#1382 In grimme-lab/xtb;