Issues

• MO diagram: phase sketch enlarges on click, with a slow rotation (3-D ligand sets)

  FriendsofECCE/ECCE#370 · Filter by author ohlincha opened on Oct 18, 2026
  1

• MOPAC force runs: normal modes are stored in MOPAC's reoriented frame, the structure in the input frame

  FriendsofECCE/ECCE#369 · Filter by author ohlincha opened on Oct 18, 2026
  2

• MO diagram: phase sketches for ligands of several atoms and for 3-D ligand sets (Oh, Td)

  FriendsofECCE/ECCE#368 · Filter by author ohlincha opened on Oct 18, 2026

• Vibrations table: ECCE assigns mode symmetry and describes each mode (IR/Raman teaching)

  FriendsofECCE/ECCE#367 · Filter by author ohlincha opened on Oct 18, 2026
  2

• Port the symmetry programs from Fortran to C++ (drop the Fortran toolchain)

  FriendsofECCE/ECCE#366 · Filter by author ohlincha opened on Oct 18, 2026

• MO diagram: export the model diagram as SVG and PNG

  FriendsofECCE/ECCE#365 · Filter by author ohlincha opened on Oct 18, 2026

• MINFF: follow min.ff's renamed parameter files (minff 22ebd627) so the bundle can be updated

  FriendsofECCE/ECCE#364 · Filter by author ohlincha opened on Oct 18, 2026

• MINFF Prepare: gaps found rebuilding a real clay/ion/water system

  FriendsofECCE/ECCE#363 · Filter by author ohlincha opened on Oct 18, 2026
  4

• xtb (GFN2-xTB): register as a code, so semi-empirical results get MO diagrams

  enhancement
  FriendsofECCE/ECCE#362 · Filter by author ohlincha opened on Oct 17, 2026

• Viewer under XWayland: MO Diagram window opens black; bottom strip blinks on property switches

  FriendsofECCE/ECCE#361 · Filter by author ohlincha opened on Oct 17, 2026
  1

• Battery separators: amorphous polymer models (carboxylated cellulose, nylons) built with an external tool, run in ECCE

  FriendsofECCE/ECCE#359 · Filter by author ohlincha opened on Oct 16, 2026

• Builder: open and save CIF files (unit cell from symmetry operations)

  FriendsofECCE/ECCE#358 · Filter by author ohlincha opened on Oct 16, 2026

• Periodic Builder: layer builder (stacked layers with interlayer ions and water) for all periodic codes

  FriendsofECCE/ECCE#357 · Filter by author ohlincha opened on Oct 16, 2026
  3

• Windows: Builder's 3-D view is black until a structure is loaded; MSI install takes ~80 s

  FriendsofECCE/ECCE#356 · Filter by author ohlincha opened on Oct 16, 2026
  1

• Icons in MacOS

  enhancement
  FriendsofECCE/ECCE#354 · Filter by author mattasplund opened on Oct 15, 2026
  4

• Verify: Quantum ESPRESSO checks only that the namelists and blocks exist, and marks almost no lines

  FriendsofECCE/ECCE#349 · Filter by author ohlincha opened on Oct 15, 2026
  2

• Periodic Builder: optionally set b and c equal to a

  FriendsofECCE/ECCE#345 · Filter by author ohlincha opened on Oct 15, 2026

• Builder/Viewer: loading a large system blocks the window long enough for GNOME's 'not responding' dialog

  FriendsofECCE/ECCE#343 · Filter by author ohlincha opened on Oct 15, 2026
  4

• Builder: use the native file dialog for files on this computer

  FriendsofECCE/ECCE#342 · Filter by author ohlincha opened on Oct 15, 2026

• Workflows: templates of linked computations per field, and later an editor

  FriendsofECCE/ECCE#341 · Filter by author ohlincha opened on Oct 15, 2026
  4

• Bunch of stuff that doesn't work -- big and small

  bug
  FriendsofECCE/ECCE#340 · Filter by author ohlincha opened on Oct 15, 2026
  1

• Wayland: typed text not drawn in name prompts again (New Calculation/Project/Study), and Builder pane resize freezes

  FriendsofECCE/ECCE#339 · Filter by author ohlincha opened on Oct 15, 2026
  1

• GROMACS editor after a run: internal file names, stale status, developer text

  FriendsofECCE/ECCE#336 · Filter by author ohlincha opened on Oct 15, 2026
  1

• Replace every plot: a new plot widget behind the 14 panels that use wxPlotCtrl

  FriendsofECCE/ECCE#335 · Filter by author ohlincha opened on Oct 15, 2026
  2

• GROMACS results: what a minimisation shows (pressure, step plots, energy format)

  FriendsofECCE/ECCE#334 · Filter by author ohlincha opened on Oct 15, 2026
  2