New Authentication Rolling Out - We're upgrading our sign-in process to give you one account across all Anaconda products! Browser users will see a refreshed sign-in flow, while CLI users will experience no changes.
To install this package run one of the following: conda install conda-forge::openmm-xtb
Description
This project provides a connection between OpenMM and XTB.
It lets you compute forces and energies with the semi-empirical
quantum chemistry methods provided by XTB.
