Metadata-Version: 2.1
Name: vipster
Version: 1.19.1
Summary: A pre- and post-processing toolkit for atomistic simulations.
Home-page: https://github.com/sgsaenger/vipster
Author: Sebastian Gsänger
License: GPL
Description: # [![logo](https://raw.githubusercontent.com/sgsaenger/vipster/master/util/vipster.png)](https://sgsaenger.github.io/vipster) VIsual Periodic STructure EditoR
        
        Master branch:
        ![Build status (master)](https://github.com/sgsaenger/vipster/workflows/Build/badge.svg?branch=master)
        
        Testing branch:
        ![Build status (testing)](https://github.com/sgsaenger/vipster/workflows/Build/badge.svg?branch=testing)
        
        [![GitHub release (latest by date)](https://img.shields.io/github/v/release/sgsaenger/vipster)](https://github.com/sgsaenger/vipster/releases)
        [![PyPI version](https://img.shields.io/pypi/v/vipster)](https://pypi.org/project/vipster)
        [![Python versions](https://img.shields.io/pypi/pyversions/vipster)](https://pypi.org/project/vipster)
        
        [![codecov](https://codecov.io/gh/sgsaenger/vipster/branch/master/graph/badge.svg)](https://codecov.io/gh/sgsaenger/vipster)
        [![CII Best Practices](https://bestpractices.coreinfrastructure.org/projects/2166/badge)](https://bestpractices.coreinfrastructure.org/projects/2166)
        [![Codacy Badge](https://api.codacy.com/project/badge/Grade/a276a159c93f47768c59dc264750f9f5)](https://app.codacy.com/manual/sgsaenger/vipster/dashboard)
        
        [![DOI](https://zenodo.org/badge/21859848.svg)](https://zenodo.org/badge/latestdoi/21859848)
        [![GPL-3.0 licensed](https://img.shields.io/github/license/sgsaenger/vipster)](https://www.gnu.org/licenses/gpl-3.0.html)
        
        Fast and easy to use graphical editor for periodic atomistic simulations.
        For more information, please visit the [Homepage](https://sgsaenger.github.io/vipster).
        ![Example screenshot](gh-pages/images/screenshot.png)
        
        Binary releases are available [here](https://github.com/sgsaenger/vipster/releases),
        installation instructions can be found [here](https://github.com/sgsaenger/vipster/blob/master/INSTALL.md).
        
        Last but not least, a (sadly, feature-reduced) browser version can be tried [here](https://sgsaenger.github.io/vipster/emscripten/index.html)!
        
        <table align="center">
          <tr>
            <th colspan=3>
              <img src="https://raw.githubusercontent.com/sgsaenger/vipster/master/util/vipster.png" height=16>
              Libvipster
            </th>
          </tr>
          <tr>
            <td colspan=3>C++17 based backbone: Powerful container-classes and I/O</td>
          </tr>
          <tr>
            <th>
              <img src="https://s3-eu-west-1.amazonaws.com/qt-files/logos/built-with-Qt_Horizontal_Small.png" alt="Qt GUI" height=18>
            </th>
            <th>
              <img src="https://raw.githubusercontent.com/emscripten-core/emscripten/master/media/switch_logo.png" alt="Emscripten port" height=60>
            </th>
            <th>
              <img src="https://www.python.org/static/community_logos/python-logo-master-v3-TM.png" alt="Python bindings" height=36>
            </th>
          </tr>
          <tr>
            <td>Fast and native GUI with OGL3.3 based rendering</td>
            <td>Portable browser-based GUI, shared render-code</td>
            <td>Scripting interface for batch-processing</td>
          </tr>
        </table>
        
        ## Dependencies:
        
        - [JSON for Modern C++](https://github.com/nlohmann/json) 
        - [CLI11](https://github.com/CLIUtils/CLI11) 
        - [tinyexpr](https://github.com/codeplea/tinyexpr) 
        - [CMake](https://cmake.org)
        - [{fmt}](https://github.com/fmtlib/fmt)
        - and a C++17-capable compiler (g++ > 8 or clang > 4)
        - optional:
            - [Qt5](https://www.qt.io) (desktop application)
            - [emscripten](http://kripken.github.io/emscripten-site) (web interface)
            - [pybind11](https://github.com/pybind/pybind11) (script interface)
            - [Catch2](https://github.com/catchorg/Catch2) (testing)
            - [LAMMPS](https://lammps.sandia.gov) (interactive forcefield calculations)
        
        ## Supported file types:
        
        | Format          | Reading  | Writing  |
        |-----------------|----------|----------|
        | xyz (augmented) | &#10004; | &#10004; |
        | PWScf input     | &#10004; | &#10004; |
        | PWScf output    | &#10004; |          |
        | LAMMPS data     | &#10004; | &#10004; |
        | LAMMPS dump     | &#10004; |          |
        | CPMD input      | &#10004; | &#10004; |
        | Gaussian cube   | &#10004; |          |
        | XCrysden        | &#10004; |          |
        | ORCA input      | &#10004; | &#10004; |
        | VASP Poscar     | &#10004; | &#10004; |
        
Keywords: chemistry
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: C++
Classifier: Programming Language :: Python :: Implementation :: CPython
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.6
Description-Content-Type: text/markdown
