Projects to interface xtb with with Gaussian.
A perl wrapper script to make the xtb binary usable with the
The source code is hosted on GitHub: aspuru-guzik-group/xtb-gaussian.
Requires an existing xtb installation, the xtb binary has to be available in the PATH.
The script xtb-gaussian has to be available in the PATH as well and is used to invoke xtb from Gaussian using the
%chk=ts # external="xtb-gaussian -P 12 --etemp 300.0" opt=(calcfc,ts,noeigentest,nodownhill,nomicro)
Command line arguments provided to the xtb-gaussian wrapper will be passed through to the xtb program.
A shell script wrapper for xtb with additional tools written in Fortran. The project homepage can be here.