xtb

Description

Semiempirical Extended Tight-Binding Program Package.

More information

Availability

Module Manneback Lemaitre4
xtb/6.5.0-foss-2021b  
xtb/6.5.0-intel-2021a  
xtb/6.6.1-foss-2021b  
xtb/6.6.1-foss-2023a  
xtb/6.7.0-foss-2023a  
xtb/6.7.0-gfbf-2023a  
xtb/6.7.1-gfbf-2023b