CCP-NC / sopranoLinks
Soprano - a Python library to crack crystals!
☆11Updated 2 weeks ago
Alternatives and similar repositories for soprano
Users that are interested in soprano are comparing it to the libraries listed below
Sorting:
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14Updated last year
- Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite☆21Updated last year
- MAterials Simulation Toolkit for use with pymatgen☆17Updated last year
- A modular electronic structure theory code☆21Updated 7 years ago
- A Basic Symmetry Module (Python)☆17Updated 4 months ago
- Package containing several workflows to compute molecular properties for nanomaterials☆12Updated last year
- Benchmark data for density-functional theory method development.☆15Updated 2 weeks ago
- Point symmetry analysis tool for theoretical chemistry objects☆20Updated 5 months ago
- Official Repository of the Optados code☆23Updated 4 months ago
- gammcor code☆11Updated 5 months ago
- ☆20Updated 2 years ago
- AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…☆14Updated last week
- A fortran package and library for continuum embedding calculations in materials and molecules☆20Updated this week
- Generate isosurface from density data☆13Updated 3 months ago
- DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…☆17Updated 2 weeks ago
- Personal collection of scripts to handle FHI-aims calculations.☆11Updated last year
- Quantum-Integrated Multi-PhYsics☆25Updated 2 weeks ago
- ☆30Updated 5 years ago
- ☆23Updated last week
- PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…☆16Updated 6 years ago
- Wave-function analysis tool library☆28Updated 10 months ago
- GMTKN test sets in python☆11Updated 3 years ago
- a unified interface for molecular harmonic vibrational frequency calculations☆31Updated 2 weeks ago
- Tutorial files for alamode☆13Updated last year
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated 3 weeks ago
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated 8 months ago
- Gauge-including magnetically induced currents.☆28Updated last year
- The main branch of the Pyxaid code☆12Updated 8 years ago
- Tracking citations of atomistic simulation engines☆23Updated last month