dftd4 3.4.0-gfbf-2022b

Generally Applicable Atomic-Charge Dependent London Dispersion Correction.

Accessing dftd4 3.4.0-gfbf-2022b

To load the module for dftd4 3.4.0-gfbf-2022b please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2022b
module load dftd4/3.4.0-gfbf-2022b

BEAR Apps Version

2022b

Architectures

EL8-cascadelake — EL8-icelake — EL8-sapphirerapids

The listed architectures consist of two part: OS-CPU. The OS used is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.

More Information

For more information visit the dftd4 website.

Dependencies

This version of dftd4 has a direct dependency on: gfbf/2022b mctc-lib/0.3.1-GCC-12.2.0 mstore/0.2.0-GCC-12.2.0 multicharge/0.2.0-gfbf-2022b

Required By

This version of dftd4 is a direct dependent of: CREST/3.0.1-gfbf-2022b QCxMS/5.2.1-gfbf-2022b tblite/0.2.1-gfbf-2022b

Last modified on 10th May 2024