matrix-package 23.4.29

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 properties of amorphous, crystalline or semi-amorphous and electronic systems of certain 2D layered materials of Van Der Waals. 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 22.02.09-alpha offers the possibility of processing six different inputs. LAMMPS outputs, DL_POLY outputs, CPMD outputs, GAMESS outputs, Abinit outputs and VASP outputs. 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.