Issues

• localhost not set up for compute

  FriendsofECCE/ECCE#230 · Filter by author mattasplund opened on Oct 4, 2026
  1

• ESP surface computation is slow (benzene: 2 min 25 s)

  FriendsofECCE/ECCE#229 · Filter by author ohlincha opened on Oct 4, 2026

• Normal modes: small-amplitude arrows end inside their atom

  FriendsofECCE/ECCE#228 · Filter by author ohlincha opened on Oct 4, 2026

• Viewer: bonds poorly visible on a white background

  FriendsofECCE/ECCE#227 · Filter by author ohlincha opened on Oct 4, 2026

• Viewer: an MO isosurface briefly appears with another cutoff before the requested one

  FriendsofECCE/ECCE#226 · Filter by author ohlincha opened on Oct 4, 2026

• ecce -remote: Cancel at the login sometimes does not return (tests/hosts, intermittent)

  FriendsofECCE/ECCE#225 · Filter by author ohlincha opened on Oct 4, 2026
  1

• Ball and Stick: 171 ms per frame for a 5184-atom water box (CPK: 20 ms)

  FriendsofECCE/ECCE#224 · Filter by author ohlincha opened on Oct 4, 2026
  1

• Periodic table: general redesign

  FriendsofECCE/ECCE#222 · Filter by author ohlincha opened on Oct 4, 2026

• DirDyVTST editor: functional redesign, and use as the basis for fragment calculations

  FriendsofECCE/ECCE#221 · Filter by author ohlincha opened on Oct 4, 2026
  2

• tests/apps: X server liveness check fails under load

  FriendsofECCE/ECCE#220 · Filter by author ohlincha opened on Oct 4, 2026

• Rewrite the help, shown inside ECCE

  FriendsofECCE/ECCE#219 · Filter by author ohlincha opened on Oct 4, 2026

• Viewer: "Bad Geomtrace" assertion then SIGSEGV, seen once, not reproducible

  FriendsofECCE/ECCE#217 · Filter by author ohlincha opened on Oct 2, 2026
  1

• Electron density contour map in a plane (molecular plane or three atoms)

  enhancement
  FriendsofECCE/ECCE#215 · Filter by author ohlincha opened on Oct 1, 2026

• Vibrational spectrum viewer: wavenumber axis is reversed; replace wxPlotCtrl with a purpose-built IR/Raman canvas

  enhancement
  FriendsofECCE/ECCE#214 · Filter by author ohlincha opened on Oct 1, 2026
  1

• Queue editor: discover queues, job-script settings, preview and dry-run test

  FriendsofECCE/ECCE#212 · Filter by author ohlincha opened on Oct 1, 2026 · v9

• Modernise the look: platform-native chrome, icons and plots; viewer after Coin3D

  FriendsofECCE/ECCE#210 · Filter by author ohlincha opened on Oct 1, 2026 · v9
  5

• Jobs submitted and monitored by the ECCE server, not the client

  enhancement
  FriendsofECCE/ECCE#208 · Filter by author ohlincha opened on Sep 30, 2026
  2

• Transport after the pty removal: remaining items

  enhancement
  FriendsofECCE/ECCE#204 · Filter by author ohlincha opened on Sep 30, 2026
  19

• Login dialog: create a data-server account from it, not only with ecce-dataserver-adduser

  enhancement
  FriendsofECCE/ECCE#203 · Filter by author ohlincha opened on Sep 29, 2026
  1

• Fragment-orbital analysis as a calculation type: MO diagrams for complexes from real fragment calculations

  enhancement
  FriendsofECCE/ECCE#201 · Filter by author ohlincha opened on Sep 29, 2026

• Install testing from scratch: RHEL 9, Ubuntu 24.04, Debian trixie (client, server, and each deployment mode)

  enhancement
  FriendsofECCE/ECCE#193 · Filter by author ohlincha opened on Sep 29, 2026 · A: teaching-ready (8.16.x)
  10

• Remote mode: the server provides site configuration (machines, queues), so a client works out of the box

  enhancement
  FriendsofECCE/ECCE#192 · Filter by author ohlincha opened on Sep 29, 2026 · v9
  2

• Every window must fit small screens: audit all apps and dialogs, one shared fix

  enhancement
  FriendsofECCE/ECCE#189 · Filter by author ohlincha opened on Sep 28, 2026 · A: teaching-ready (8.16.x)
  1

• v9 roadmap: the revamped ECCE (server/client split, new transport, native clients)

  enhancement
  FriendsofECCE/ECCE#186 · Filter by author ohlincha opened on Sep 28, 2026 · v9
  6

• Tracking: property calculations for battery research

  backlogenhancement
  FriendsofECCE/ECCE#183 · Filter by author ohlincha opened on Sep 28, 2026