/ Categories / xtb

Bundle

Name:qmsoft
Maintainer:LCC Support
Contact:support@lcc.ncbr.muni.cz

Available versions

Default build

  • xtb:6.7.1:auto:auto

xtb

The xtb (extended tight binding) program package implements the semiempirical quantum mechanical methods GFNn-xTB, their descendants, and corresponding composite schemes. (Summary from the program web page.)

The official web page: https://github.com/grimme-lab/xtb