I try to get familiar with the dynasor package to use it in my system (bulk water) with LAMMPS dump file!
For start I tried to reproduce the liquid Al dynamic properties : Dynamic properties of liquid Al — dynasor documentation

but I faced with this error: NameError: name ‘get_bin_spherical_averaged_sample’ is not defined

The related link is not working as well!


Hi Saeed,

The get_bin_spherical_averaged_sample has been renamed in the development version of the code, i.e., the current version in the main branch in the Gitlab repo. In the latest stable release (v. 2.0), which is the one you obtain when pip installing dynasor, it is instead called compute_spherical_qpoint_average. Please make sure you are following the tutorial version corresponding to the latest stable version of the code if you have installed dynasor from PyPI. You can choose which documentation version to view at the bottom left of the screen. The URL should not contain dev, i.e., it should be https://dynasor.materialsmodeling.org/tutorials/aluminum_liquid_dynamic.html and not https://dynasor.materialsmodeling.org/dev/tutorials/aluminum_liquid_dynamic.html.

Thank you for letting us know that the link is not working, we will update this. It should point to the function reference: Post processing — dynasor documentation.

Feel free to reach out again if you have any further questions.