Issues

• ECCE-QM: dummy atoms and geometry constraints (for constrained optimisations in teaching labs)

  FriendsofECCE/ECCE#309 · Filter by author ohlincha opened on Oct 12, 2026

• Calculation Editor: black areas while the Code Change question is open

  FriendsofECCE/ECCE#308 · Filter by author ohlincha opened on Oct 12, 2026

• Preferences: an Advanced tab for testing and debugging switches (Windows has no terminal)

  FriendsofECCE/ECCE#307 · Filter by author ohlincha opened on Oct 12, 2026

• Geometry constraints and dummy atoms: make them discoverable

  FriendsofECCE/ECCE#306 · Filter by author ohlincha opened on Oct 12, 2026
  4

• Builder Clean: handle crowded complexes (e.g. Fe with six PPh3)

  FriendsofECCE/ECCE#305 · Filter by author ohlincha opened on Oct 12, 2026

• Builder element tool: periodic-table icon, and a proper drop-down

  FriendsofECCE/ECCE#304 · Filter by author ohlincha opened on Oct 12, 2026

• Progress records for MOPAC and the other codes without progress patterns

  FriendsofECCE/ECCE#303 · Filter by author ohlincha opened on Oct 12, 2026

• Example calculations: present from the first start, in the tree

  FriendsofECCE/ECCE#302 · Filter by author ohlincha opened on Oct 12, 2026

• MO diagram: on-the-fly fragment orbitals with ECCE-QM for casual diagrams

  FriendsofECCE/ECCE#301 · Filter by author ohlincha opened on Oct 12, 2026

• Builder: open with the periodic (lattice) tools active for periodic codes (Quantum ESPRESSO, CP2K)

  FriendsofECCE/ECCE#300 · Filter by author ohlincha opened on Oct 12, 2026

• Tutorial videos: planned list

  FriendsofECCE/ECCE#299 · Filter by author ohlincha opened on Oct 12, 2026

• Dummy atoms

  enhancement
  FriendsofECCE/ECCE#298 · Filter by author mattasplund opened on Oct 12, 2026
  3

• TCE support in NWChem

  enhancement
  FriendsofECCE/ECCE#297 · Filter by author mattasplund opened on Oct 12, 2026
  1

• Windows: selecting calculations in the project table flickers

  FriendsofECCE/ECCE#296 · Filter by author ohlincha opened on Oct 12, 2026

• MO diagram: ECCE-QM water shows no AO or TASO columns

  FriendsofECCE/ECCE#295 · Filter by author ohlincha opened on Oct 12, 2026

• Calculation Editor: choosing Theory HF (ECCE-QM) draws the button row twice

  FriendsofECCE/ECCE#294 · Filter by author ohlincha opened on Oct 12, 2026

• Builder: the Build pane cannot be made taller

  FriendsofECCE/ECCE#293 · Filter by author ohlincha opened on Oct 12, 2026

• Windows: Start menu entry has no icon; taskbar shows the old low-resolution ECCE icons

  FriendsofECCE/ECCE#292 · Filter by author ohlincha opened on Oct 12, 2026

• Organizer: free(): invalid pointer (abort) when the session ends

  FriendsofECCE/ECCE#291 · Filter by author ohlincha opened on Oct 12, 2026

• Launcher: Memory Limit shows no unit (GB)

  FriendsofECCE/ECCE#289 · Filter by author ohlincha opened on Oct 12, 2026
  2

• MO diagram: 3σg of C2/N2 has no line to 2s (s–p mixing, the σ/π crossover)

  FriendsofECCE/ECCE#287 · Filter by author ohlincha opened on Oct 11, 2026

• Builder: element tool — click activates, a ▾ chooses the element

  FriendsofECCE/ECCE#286 · Filter by author ohlincha opened on Oct 11, 2026

• MO panel while an ESP or density surface is shown: MO-specific parts, and the squeezed table

  FriendsofECCE/ECCE#285 · Filter by author ohlincha opened on Oct 11, 2026
  1

• Job progress in the Organizer: SCF, optimisation and frequency progress, and jobs out of contact

  FriendsofECCE/ECCE#284 · Filter by author ohlincha opened on Oct 11, 2026
  4

• ORCA: request and read the polarizability tensor

  FriendsofECCE/ECCE#282 · Filter by author ohlincha opened on Oct 11, 2026