Nanoparticle linear expansion analyzer

This python routine takes the initial and fitted nano RMC6F configuration as inputs and will analyze the linear expansion of lattice in the fitted nano configuration. The goal is to find a lattice that best matches the initial one through linear expansion of the fitted lattice. Input from command line will be needed during execution and the CLI prompt should be already self-explaining.

The linear fitted configuration will be stored in whatever file name specified in the very last step. The linear fitting information can be found in a file named ‘np_lin_analyzer.out’. Specially, the diagonal elements of the inverse Hessian matrix will give the uncertainty of the corresponding fitted variable.