pierrehirel / atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
https://atomsk.univ-lille.fr
GNU General Public License v3.0
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ab-initio atomeye atomic-design atomistic-simulations cheminformatics cif crystal-builder dislocation file-conversion gulp lammps materials-science open-source ovito physics-simulation polycrystal quantum-espresso science siesta vasp

| | | o---o A T O M S K | | o---o| | | | |o (C) 2010 Pierre Hirel | | o---o https://atomsk.univ-lille.fr | |____|

PURPOSE:

Atomsk is a command-line program meant to manipulate atomic systems for materials sciences. Atomsk can convert from and to various file formats, and offers options to duplicate atomic systems, introduce defects, construct crystals and polycrystals, and more.

QUICK START:

If you downloaded the binary version: Open a terminal in current directory and run: "sudo install.sh".

If you downloaded the source code: Enter the src directory and type "make atomsk".

To access the documentation, open the file "doc/index.html" in your web browser.

CONTENT OF THIS PACKAGE:

README This file LICENSE The GNU General Public License v.3 CHANGELOG Modification history doc/ Documentation of the program (html) etc/ Sample configuration file examples/ Examples to test the program man/ Man page of the program src/ Source code of the program (Fortran95) tools/ Companion programs and scripts install.sh Bash script to install Atomsk in GNU/Linux

(C) Pierre Hirel 2010 This program is distributed under the GNU/GPL (General Public License) version 3 or any later version. A copy of this license can be found in the file LICENSE that is provided with this program, or on the Web at: http://www.gnu.org/licenses/gpl.html