ECCE 8.18.11

Bug fixes, backported from 9.x.

• NWChem MP2 and coupled-cluster inputs: RMP2, UMP2, RCCSD and RCCSD(T) calculations stopped with "Unrecognized Category in dictionary" when the input was generated; broken since 8.12.0. Fixed; NWChem 7.2.3 runs the generated RMP2, UMP2 (OH) and RCCSD(T) (water) inputs.
• NWChem constraints with a fixed atom: a fixed atom no longer makes bond, angle and torsion constraints disappear from the input without notice.
• NWChem frequency-only runs: the vibrations are drawn on NWChem's own geometry, so the displacement arrows start on the atoms.
• Importing calculations: an ORCA output without RKS/UKS in its keyword line (e.g. ! B3LYP def2-SVP Opt Freq) is imported with its theory (DFT, restricted or unrestricted from the multiplicity); NWChem outputs of an optimisation followed by frequencies and properties are imported with that run type.
• Organizer: closing the window a second time while the Quit dialog is open no longer crashes it.
• Viewer: atoms are no longer drawn with a green tint.

Packages, each built on the system it is for:

File	Built on	Install with
ecce_8.18.11_amd64.deb	Debian 13 (trixie)	sudo apt install ./ecce_8.18.11_amd64.deb
ecce_8.18.11_ubuntu24.04_amd64.deb	Ubuntu 24.04	sudo apt install ./ecce_8.18.11_ubuntu24.04_amd64.deb
ecce-8.18.11-1.x86_64.rpm	Rocky Linux 9	sudo dnf install epel-release && sudo dnf install ./ecce-8.18.11-1.x86_64.rpm

Debian 13 tested: the teaching calculation set passes on this release, and new tests cover the NWChem MP2/coupled-cluster inputs and the vibration geometry. The Organizer and viewer fixes were tested on 9.x; on 8.18.11 they are built but not tested by hand. The Ubuntu and RPM packages were built on their systems but not tested for this release. RHEL has no ActiveMQ package; see GETTING_STARTED: ActiveMQ on RHEL, Rocky and Fedora.