pcxod / olex2Links
☆14Updated this week
Alternatives and similar repositories for olex2
Users that are interested in olex2 are comparing it to the libraries listed below
Sorting:
- Crystal structure container and parsers for structure formats.☆35Updated 3 weeks ago
- python wrapper for fdmnes data input/output☆13Updated 4 years ago
- Collection of tools for automated processing and clustering of electron diffraction data☆11Updated last month
- Open Computational Chemistry in C++☆20Updated this week
- Core-Level Spectroscopy Simulations in Python☆42Updated 6 months ago
- Reads crystallographic cif files and simulates diffraction☆66Updated last month
- AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…☆14Updated 2 months ago
- ☆20Updated last month
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11Updated last year
- FDMNES☆10Updated 4 years ago
- Set of scripts for working with Topas☆16Updated 3 months ago
- A Basic Symmetry Module (Python)☆17Updated 3 months ago
- LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.☆20Updated 3 weeks ago
- Gauge-including magnetically induced currents.☆28Updated last year
- xrayutilities - a package with useful scripts for X-ray diffraction physicists☆90Updated 5 months ago
- Soprano - a Python library to crack crystals!☆11Updated last week
- Debye's scattering equation & other analysis of atomistic models.☆54Updated last year
- A JupyterLab launcher extension to view the molecular orbitals.☆19Updated 10 months ago
- ☆33Updated 3 weeks ago
- Make periodic table map plots and pettifor-style trend plots.☆28Updated 7 years ago
- GUI4dft - first free SIESTA oriented GUI☆25Updated last month
- Official public repository for the XtalOpt crystallographic multi-objective variable-composition evolutionary algorithm☆41Updated last week
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆20Updated 5 months ago
- STEM/TEM/Coherent CBED image simulations☆52Updated 8 years ago
- Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.☆37Updated 6 months ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Updated 3 weeks ago
- MULTEM is a powerful and advanced collection of C++ routines with CUDA support, designed to perform efficient and accurate multislice sim…☆73Updated 2 weeks ago
- Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (…☆152Updated this week
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- Multipurpose ab initio MD program.☆9Updated 2 months ago