Walking Cell Molecular Dynamic Simulation - Code/Documentation

In this second version of the code, we have some important modifications. These changes are both in the structure of the code and in the physical model. In the physical model, we have added the presence of a thermal bath with a constant temperature and the presence of two vertically movable walls that are infinite horizontally. The upper wall is smooth and fixed, while the lower one has a roughness that leads to the appearance of friction. This wall moves vertically from its initial position to a constriction distance in the channel. From the coding perspective, we note that the Fortran code is compiled into a Python module using the f2Py function, thus allowing a Python script to control the entire flow of initialization parameters.