Network Generation¶
pylimer-tools includes a powerful Monte Carlo-based network generator for creating realistic polymer systems.
This tools is particularly useful for generating quick initial configurations for molecular dynamics simulations,
or for doing fast predictions of the viscoelasticity using the NormalModeAnalyzer or the
pylimer_tools_cpp.MEHPForceBalance and its variants.
For more options, examples and advanced usage, see the test suite
and the modules API reference, particularly of the MCUniverseGenerator class.
The network generation system allows you to:
Create end-linked and vulcanized polymer networks with controllable topology
Generate solvent chains and background molecules
Control crosslinking degree and functionality
Set realistic bead distances and box sizes
The MCUniverseGenerator class is the main interface for network generation.
The initial method was introduced in Gusev [Gus19],
the current implementation is more powerful, as needed for Bernhard and Gusev [BG25].
