Metadata-Version: 2.1
Name: LPC3D
Version: 0.1.2
Summary: A package for LPC3D mesoscopic simulations
Author-email: El Hassane Lahrar <lahrar.el@gmail.com>, Céline Merlet <celine.merlet.fr@gmail.com>
License: AGPL-3.0-or-later
Keywords: LPC3D,simulation,OpenMP,GPU,computational science
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: GNU Affero General Public License v3 or later (AGPLv3+)
Requires-Python: >=3.6
Description-Content-Type: text/markdown
Requires-Dist: pystencils
Requires-Dist: numba
Requires-Dist: ipython
Requires-Dist: matplotlib
Requires-Dist: pyevtk
Provides-Extra: gpu
Requires-Dist: cupy-cuda; extra == "gpu"

# LPC3D
A code to do mesoscopic simulations of ions diffusing in carbon particles and of full supercapacitors.

This code is developed in the context of the MultiXscale project.

This code was written by El Hassane Lahrar and Céline Merlet, with contributions from Rudolf Weber, and was used in one published work:

"Investigating the effect of particle size distribution and complex exchange dynamics on NMR spectra of ions diffusing in disordered porous carbons through a mesoscopic model", Faraday Discuss., Advance article, https://pubs.rsc.org/en/Content/ArticleLanding/2024/FD/D4FD00082J 

Here, a manual and example input files are provided.

Compared to the previous version of the program, written in C and serial (https://github.com/cmerlet/LPC3D-C-serial), this code is written using pystencils (https://pypi.org/project/pystencils/) - is parallel - and can use CPU and GPU.

