Draft: Develop

In this work, a new software, named POST-PROMD, has been developed, which is capable of computing three main phase transition quantities including the Lindemann index, mean square displacement (MSD) of atoms, and radial distribution function (RDF) of systems of particles, only via post-processing the output file containing atomic positions generated during molecular dynamics (MD) simulations. POST-PROMD runs independently (is not a module patched to any other software), is length-scale-independent (consistent with both quantum mechanical and classical simulations), is released for the first time under the GNU GPL (Version 3) as a free and open-source package, and has originally been written to post-process the atomic-positions output file generated during Car-Parrinello MD simulations of Quantum ESPRESSO.