This mode allows you to run one simulation with specific parameters.

The parameters for the simulation can be set in params.txt. They are:

1. n_iter: Number of particles
2. rho: Density
3. T: Temperature
4. n_iter: Number of iterations
5. n_iter_init: Number of iterations until equilibrium. The number of iterations before the thermostat is used.
6. dt: Time step
7. do_plots: Boolean. If set to 1, the correlation function and the diffusion will be outputted to correlation_function.pdf and diffusion.pdf.
8. size_blocks: The size (in iterations) of each block used for data blocking. NOTE: n_iter - n_iter_init must be aa multiple of size_blocks.

1. Set parameters in params.txt.
2. Run python simulate.py. The results will be dumped in sim_data/.
3. Run python post.py.
4. The results should show up in the terminal windows.

This mode allows you to run several simulations in a row in order to plot the energy, heat capacity and pressure as a function of temperature and density.

1. Set parameters and values of density/temperature in batch.py.
2. Run python batch.py.
3. Results and plots will be dumped in batch_results/