All backends provide energy and gradient, and can output an analytical Hessian in ORCA.hess format via --dump-hessian. An optional implicit-solvent correction (xTB) is also available via --solvent.
To install PyTorch/XLA stable build in a new TPU VM: Note: Builds are available for Python 3.8 to 3.11; please use one of the supported versions. As of 07/16/2025 and ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results