Pizza3 Core Library

This directory contains the core Python modules for the Pizza3 LAMMPS toolkit. These modules provide foundational functionalities for building, running, and analyzing simulations with LAMMPS.

Files and Subdirectories (overview, not exhausitve)

• __init__.py: Initializes the Pizza3 Python package.
• script.py: Handles LAMMPS script creation and management.
• forcefield.py: Provides tools to manage forcefields in simulations.
• dforcefield.py: Extends forcefield.py with dynamic features.
• region.py: Defines regions for LAMMPS simulations.
• raster.py: Tools for grid-based operations.
• generic.py: General utility functions.
• private/: Contains internal modules not intended for direct usage by end-users.

Notes

• Ensure that the PYTHONPATH includes this directory when running Pizza3 scripts.