MDMC

Overview

1. Introduction
2. Installation
3. Simulations
4. Parameter Refinement
5. Contributing to MDMC

Tutorials

Building an MDMC Universe
Reading atoms from configuration files
Units in MDMC
Applying a ForceField
Solvating an MDMC Universe
Molecular Visualization
Running a Simulation in MDMC
Creating an Observable from a Simulation
Selecting Fitting Parameters
Running a Refinement
Argon A-to-Z

Developer Documentation

Overview
Coding Standards
Documentation Standards
Units
Testing
MDMC Software Management
Containers
Debugging inside Containers
Recipes for ‘simple’ additions
Known bugs and unimplemented features

Modules

common
control
gui
MD
readers
refinement
- FoM
- minimizer
trajectory_analysis

MDMC

refinement
FoM
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FoM

A module for Figure of Merit calculation

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