Jan 31 2023

T10-2023 Notification regarding BIOVIA TURBOMOLE 2023 HF1

BIOVIA TURBOMOLE

Technical Note T10-2023

January 2023

Notification regarding BIOVIA TURBOMOLE 2023 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 2023 HF1 which includes the following enhancements and fixed defects:

Enhancements

There are no new Enhancements for this release of BIOVIA TURBOMOLE.

Fixed Defects

This release of BIOVIA TURBOMOLE includes the following fixed defects.

User Story

Description

SOLCHEM-1403

Fixed incorrect Hartree-Fock exchange energy in the periodic boundary module riper for open shell systems at k-points other than the gamma point.

SOLCHEM-1547

Multipole-accelerated RI-J for two-component timedependent DFT (TDDFT) failed to run in the 7.7 (2023Golden) release of BIOVIA TURBOMOLE. This issue has been fixed.

Resolution                                                                         

BIOVIA TURBOMOLE 2023 HF1 was released in January 2023 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 2023

Level: BIOVIA 2023 HF1

How to contact BIOVIA Support

If you have any questions, please contact BIOVIA Support.