Ecosyste.ms: Awesome

An open API service indexing awesome lists of open source software.

Awesome Lists | Featured Topics | Projects

https://github.com/sgsaenger/vipster

Visualization and editing of periodic molecular structure files.
https://github.com/sgsaenger/vipster

atom cpmd cpp17 emscripten gui lammps molecule pwscf python quantum-espresso visualization xyz

Last synced: 2 months ago
JSON representation

Visualization and editing of periodic molecular structure files.

Host: GitHub
URL: https://github.com/sgsaenger/vipster
Owner: sgsaenger
License: gpl-3.0
Created: 2014-07-15T13:05:58.000Z (over 10 years ago)
Default Branch: master
Last Pushed: 2023-12-27T16:53:12.000Z (12 months ago)
Last Synced: 2024-10-04T21:10:00.129Z (3 months ago)
Topics: atom, cpmd, cpp17, emscripten, gui, lammps, molecule, pwscf, python, quantum-espresso, visualization, xyz
Language: C++
Homepage: https://sgsaenger.github.io/vipster
Size: 11.9 MB
Stars: 23
Watchers: 6
Forks: 7
Open Issues: 10
Metadata Files:
- Readme: README.md
- License: LICENSE

Awesome Lists containing this project

README

        # [![logo](util/vipster.png)](https://sgsaenger.github.io/vipster) VIsual Periodic STructure EditoR

[![Build status (master)](https://github.com/sgsaenger/vipster/workflows/Build/badge.svg?branch=master)](https://github.com/sgsaenger/vipster/actions)

[![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://app.codacy.com/project/badge/Grade/f5dbd1d560fa45858976d9ecf8daf835)](https://app.codacy.com/gh/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.

More information: [Homepage](https://sgsaenger.github.io/vipster),

[Downloads](https://github.com/sgsaenger/vipster/releases),

[Installation instructions](INSTALL.md)

[Try the interactive browser version (not feature complete)!](https://sgsaenger.github.io/vipster/emscripten/index.html)

![Example screenshot](website/content/images/screenshot.png)

  

    

      

      Libvipster

    

  

  

    C++17 based backbone: Powerful container-classes and I/O

  

  

    

      

    

    

      

    

    

      

    

  

  

    Fast and native GUI with OGL3.3 based rendering

    Portable browser-based GUI, shared render-code

    Scripting interface for batch-processing

  

## 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) | ✔ | ✔ |

| PWScf input     | ✔ | ✔ |

| PWScf output    | ✔ |          |

| LAMMPS data     | ✔ | ✔ |

| LAMMPS dump     | ✔ |          |

| CPMD input      | ✔ | ✔ |

| Gaussian cube   | ✔ |          |

| XCrysden        | ✔ |          |

| ORCA input      | ✔ | ✔ |

| VASP Poscar     | ✔ | ✔ |