.. include:: /include/links.rst

.. _faq:

==========================
Frequently Asked Questions
==========================


How should I cite PySoftK_?
----------------------------

If you find PySoftK useful in your research please cite the following articles:

[1] Ziolek, Robert M., et al. "Conformational Heterogeneity and Interchain Percolation Revealed in an Amorphous Conjugated Polymer." ACS nano (2022).


Known problems
---------------

Some users have reported problems while trying to use PySCF-semiempirical_ methods in Mac-OS. In this case, we recommend that the user re-install the 
packages (as indicated in PySCF-install_) after the installation of PySoftK_. This process is tried by PySoftK_ as part of the setup.py, however sometimes 
fails. Please be aware that also the extension module **pyscf[geomopt]** needs to be installed.