.. hash=8be03ef9bb9400b35d2112ead47077efe99fb331 .. Generated: 21/09/22 22:41 .. Do not edit! =========================== ``geometrical_derivatives`` =========================== By **Pierre Beaujean** (`pierre.beaujean@unamur.be `_). **Version 0.2** (Development). Synopsis ++++++++ ``geometrical_derivatives`` - Fetch the different derivatives of the energy with respect to geometrical modifications .. program:: geometrical_derivatives .. code-block:: console usage: geometrical_derivatives [-h] [-v] [-N] [infile] Positional arguments: .. option:: infile source of the derivatives Optional arguments: .. option:: -h, --help show this help message and exit .. option:: -v, --version show program's version number and exit .. option:: -N, --no-vibs Do not perform the vibrational analysis More information ++++++++++++++++ Try to fetch the gradient and hessian. If the second one is found, compute vibrational frequencies. Rely on the availability of ``geometrical_derivatives``.