Notification regarding BIOVIA TURBOMOLE 2022 HF1
Program
BIOVIA TURBOMOLE
Operating System
All supported operating systems
Description
We are providing this Technical Note to inform you about the release of BIOVIA TURBOMOLE 2022 HF1 which includes the following enhancements and fixed defects:
Fixed Defects
This release of BIOVIA TURBOMOLE includes the following fixed defects.
User Story | Description |
SOLCHEM-858 | The known vulnerability CVE-2019-17571 of the log4j 1.2.17 and log4j 1.2.16 libraries used were remediated by removing log4j 1.2.16 entirely from the TURBOMOLE/TmoleX release, and replacing log4j 1.2.17 by the new version log4j 2.17.1. |
SOLCHEM-957 | Unrestricted PNO-CCSD calculations using the parallel version of the pnoccsd module gave incorrect total CCSD energies for some input cases.This issue has been fixed, modifications on pnoccsd corrected the behavior and resulting energies are now closer to canonical, non-PNO approximated CCSD energies. |
Resolution
BIOVIA TURBOMOLE 2022 HF1 was released in July 2022 and is available for download at https://software.3ds.com under BIOVIA products and can be found under:
Product line: Lab, Scientific and Content Solutions
Release: BIOVIA 2022
Level: BIOVIA 2022 Golden
Fix for this level: BIOVIA 2022 Golden HF4
https://www.3ds.com/support/news/single/t41-2022-notification-regarding-biovia-turbomole-2022-hf1/
