https://github.com/pierrehirel/atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
https://github.com/pierrehirel/atomsk

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

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Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

• Host: GitHub
• URL: https://github.com/pierrehirel/atomsk
• Owner: pierrehirel
• License: gpl-3.0
• Created: 2016-07-07T07:44:04.000Z (over 8 years ago)
• Default Branch: master
• Last Pushed: 2024-11-29T15:14:24.000Z (about 1 month ago)
• Last Synced: 2024-12-30T09:08:45.392Z (10 days ago)
• Topics: 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
• Language: Fortran
• Homepage: https://atomsk.univ-lille.fr
• Size: 4.18 MB
• Stars: 205
• Watchers: 18
• Forks: 75
• Open Issues: 3
• Metadata Files:
  • Readme: README
  • Changelog: CHANGELOG
  • License: LICENSE

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README

        
 ___________________________________________________

|              ___________                          |

|     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