Welcome the Semi-Grand canonical plug-in documentation!

This HOOMD-Blue plugin is designed to enable semi-grand canonical ensemble calculations based on molecules. It is currently tailored for calculations involving lipid bilayers

Introduction

• Getting started
• Asymmetric PC-PE bilayers
  • Force-field descriptions
  • Molecule ensembles and SGC updaters
  • Setting chemical potential values

Python Documentation

• Semi-Grand canonical python package
  • Collective Variables
  • Updater
  • MC Pair potential evaluators
  • Custom Integrators

Indices

• Index

• Module Index

Source code

The git repository is on gitlab