matrix-package 21.9.2

Molecular dynamics code for the analysis of structural, dynamic, thermodynamic and electronic properties of certain 2D materials.

matrix_package is a molecular dynamics analysis code allowing to calculate several structural, dynamic, thermodynamic and electronic properties of certain 2D materials. It is based on powerful solving algorithms, using MACHINE LEARNING to solve certain more or less complex problems such as the computation of the properties of dipole moments from Wanier centers. version 21.09.1 offers the possibility of processing for four different entries. the outpts of LAMMPS, the outputs of DL_POLY, the outputs CPMD, the outputs of GAMESS. this version will evolve gradually and will take into account more versions of inputs. However, it has a module that allows you to convert an input into an XYZ file that it can then use to do several calculations.