Polymer dynamics simulations

This repository contains code for performing simulations of a semi-flexible polymer:

• Monte-Carlo. It uses the Metropolis-Hasting algorithm. Configurations are generated through crankshaft and pivot moves. The elasticity is not taken into account and the bond length between monomers remains unchanged.
• Langevin. It uses Langevin dynamics. An integration time step needs to be specified.

Compilation

Compilation of both implementations is achieved through:

g++ -std=c++11 main.cpp -o prog

Execution

The program is then executed as follows:

./prog < config

where config is the configuration file. Examples of such files for both implementations are given in the configs folder.

This program prints the energy of the system at each time step. The configurations are written in the pol.xyz file.