A pre- and post-processing toolkit for atomistic simulations.
Project description
VIsual Periodic STructure EditoR
Master branch:
Testing branch:
Fast and easy to use graphical editor for periodic atomistic simulations.
For more information, please visit the Homepage.
Binary releases are available here, installation instructions can be found here.
Last but not least, a (sadly, feature-reduced) browser version can be tried here!
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C++17 based backbone: Powerful container-classes and I/O | ||
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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++
- CLI11
- tinyexpr
- CMake
- {fmt}
- and a C++17-capable compiler (g++ > 8 or clang > 4)
- optional:
- Qt5 (desktop application)
- emscripten (web interface)
- pybind11 (script interface)
- Catch2 (testing)
- LAMMPS (interactive forcefield calculations)
Supported file types:
Format | Reading | Writing |
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xyz (augmented) | ✔ | ✔ |
PWScf input | ✔ | ✔ |
PWScf output | ✔ | |
LAMMPS data | ✔ | ✔ |
LAMMPS dump | ✔ | |
CPMD input | ✔ | ✔ |
Gaussian cube | ✔ | |
XCrysden | ✔ | |
ORCA input | ✔ | ✔ |
VASP Poscar | ✔ | ✔ |
Project details
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