Issues 共 70
[Code scan] Periodic table list and JSON data are inconsistent for elements 104-118
#990 · njzjz · 2026-06-30
[Code scan] RDF helpers mutate sel_type and poison later default calls
#987 · njzjz · 2026-06-30
[BUG] extxyz / quip/gap/xyz reader silently ignores `stress=` headers
#973 · SchrodingersCattt · 2026-05-19
[BUG] `DEPRECATION WARNING: please use GetValence(Chem.ValenceType.EXPLICIT) instead`
#968 · njzjz · 2026-04-18
[BUG] Only the first frame is read using abacus/lcao/relax
#951 · sies-delta · 2026-03-13
[BUG] Dpdata failed to process `abacus/md` (the `develop` branch of `abacus`)
#949 · ZhouXY-PKU · 2026-03-12
[Feature Request] Deprecate the `devel` branch
#933 · njzjz · 2026-02-13
[BUG] cp2k: `TypeError: only 0-dimensional arrays can be converted to Python scalars`
#922 · njzjz · 2026-01-12
[BUG] dpdata Fails to Convert QE Output to npy Files
#901 · zzzruru · 2025-09-22
[BUG] Converting from Quantum Espresso cp.x traj gives error when there is only one line in the energy output file
#899 · Constant206462 · 2025-09-20