GitHub repository for lessons on simulations
current contents
bootstrapping/ bootstrapping_fill_in.py.ipynb: boostrapping concepts + example for calculating diffusion constants from md. manytraj.npy: data for bootstrapping diffusion constants over particles. toy_problems/ Simplest_MD.ipynb : demonstration of integrators in 1D MD thermostats_and NVT.ipynb: demonstration of stochastic and Langevin thermostats in 1D MD