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ECCE 8.18.12

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@ohlincha ohlincha released this 16 Oct 16:02
· 1730 commits to main since this release

Bug fix, backported from 9.2.1.

  • Viewer crash when opening the MOs of a calculation with many orbitals: parsed results longer than 2048 bytes per line were cut when stored, so e.g. the orbital energies of an ORCA calculation with more than about 245 orbitals were lost and the MOs panel crashed. They are now stored whole, and the panel says when data is incomplete instead of crashing. Calculations stored earlier keep their cut results: import the output again or rerun.

Packages, each built on the system it is for:

File Built on Install with
ecce_8.18.12_amd64.deb Debian 13 (trixie) sudo apt install ./ecce_8.18.12_amd64.deb
ecce_8.18.12_ubuntu24.04_amd64.deb Ubuntu 24.04 sudo apt install ./ecce_8.18.12_ubuntu24.04_amd64.deb
ecce-8.18.12-1.x86_64.rpm Rocky Linux 9 sudo dnf install ./ecce-8.18.12-1.x86_64.rpm