Reverse Dependencies of spglib

The following projects have a declared dependency on spglib:

• aiida-core — AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.
• aiida-crystal17 — AiiDA plugin for running the CRYSTAL17 code
• aiida-gulp — AiiDA plugin for running the GULP MD code
• aiida-vibroscopy — AiiDA plugin for vibrational spectoscopy using Quantum ESPRESSO.
• aiidalab-widgets-base — Reusable widgets for AiiDAlab applications.
• aim2dat — Automated Ab-Initio Materials Modeling and Data Analysis Toolkit: Python library for pre-, post-processing and data management of ab-initio high-throughput workflows for computational materials science.
• alignn — alignn
• amcheck — amcheck is the program (and a library) to check, based on the symmetry arguments, whether a given material is an altermagnet.
• amset — AMSET is a tool to calculate carrier transport properties from ab initio calculation data
• asd-gui — The UppASD GUI
• ase — Atomic Simulation Environment
• ase2sprkkr — ASE (atomic simulation environment) interface to SPRKKR
• asr — ASE recipes for calculating material properties
• atomgpt — atomgpt
• atomict — The client application for the https://atomictessellator.com/
• atomistic — Build atomistic structures such as grain boundaries with Python
• atomistics — Interfaces for atomistic simulation codes and workflows
• atomrdf — Ontology based structural manipulation and quering
• castep2fs — CASTEP utility for calculating Fermi surfaces and related properties.
• CatKit — General purpose tools for high-throughput catalysis.
• clease — CLuster Expansion in Atomistic Simulation Environment
• clims — Command-Line Interface for Materials Simulations
• clusterX — CELL (aka clusterX) is a python package for building Cluster Expansion models of simple and complex alloys and performing thermodynamical analyses of materials.
• Crylearn — toolkit for embedding crystal to graphy
• crystals — Data structures for crystallography
• crystex — no summary
• crystmatch — Enumerating and analyzing crystal-structure matches for solid-solid phase transitions.
• dfttoolkit — A collection of python modules and libraries for several DFT codes to handle input and output.
• dragonfruit — Workflow tool
• dxutils — A small toolbox for computational solid state physics
• easyunfold — Collection of code for band unfolding
• elastensor — A package designed to assist with the creation of 3rd order elastic constants from DFT
• elastic — Extension for ASE to calculate elastic constants
• elastool — Elastic tool for zero and finite-temperature elastic constants and mechanical properties calculations
• enstelco — ENergy-STrain ELastic COnstant calculations made simple!
• esma — Quantum Espresso automation tool
• euphonic — Euphonic calculates phonon bandstructures and inelastic neutron scattering intensities from modelling code output (e.g. CASTEP)
• fedorov — A python code repo to initialize different crystal structures based on Pearson symbol or space group
• flowws-unit-cell — Stage-based scientific workflows for crystal unit cell identification
• green-mbtools — Collection of Python tools for quantum many-body simulation using Green Software Package
• hecss — High Efficiency Configuration Space Sampler
• hiphive — High-order force constants for the masses
• HTMACat — A high-throughput modeling, calculation, and analysis framework for catalytic reaction processes.
• ifermi — Fermi surface plotting tool from DFT output
• ions — A python library for studying ionic conductors
• irrep — A tool to get symmetry proberties of ab-initio wavefunctions, irreduible representations and more.
• irreptables — Tables of characters of irreducible representations for double space groups. Part of 'irrep' package
• janus-core — Tools for machine learnt interatomic potentials
• libcasm-configuration — CASM configuration comparison and enumeration
• macrodensity — no summary
• masci_tools — masci-tools is a collection of tools for materials science.
• matador-db — MATerial and Atomic Databases Of Refined structures.
• materia — Module for integrated materials simulations.
• matid — MatID is a Python package for identifying and analyzing atomistic systems based on their structure.
• mcu — Modeling and Crystallographic Utilities
• MechElastic — A Python library to calculate elastic properties of materials.
• mechviz — MechViz -- Python-based toolkit for the analysis and visualization of mechanical properties of materials
• mgtoolbox-kernel — no summary
• mkits — multi-DFT codes assistant program.
• mpdd-alignn — A version of the NIST-JARVIS ALIGNN optimized in terms of model performance and to some extent reliability, for large-scale deployments over the MPDD infrastructure by Phases Research Lab.
• ncrystal — Library for thermal neutron transport in crystals and other materials.
• ncrystal-verify — Library for thermal neutron transport in crystals and other materials.
• PDielec — PDielec package for the calculation of THz and infrared spectra for powders and single crystals
• perconeb — A tool for finding percolation pathways in crystals
• pheasy — A calculator for high-order force constants and phonon quasiparticles.
• phono3py — This is the phono3py module.
• phonon-to-json — Package for converting CASTEP .phonon files to .json files.
• phonopy — This is the phonopy module.
• pniggli — Structures of Alloys Generation And Recognition
• PropertyExtract — "PropertyExtract -- LLM-based model to extract material property from unstructured dataset",
• PyBigDFT — Python utilities for BigDFT
• pyDFTutils — utils for DFT/TB calculation
• pyexafs — A simple package for fast analysis of EXAFS data
• pyiron-atomistics — An interface to atomistic simulation codes including but not limited to GPAW, LAMMPS, S/Phi/nX and VASP.
• pyiron-gpl — pyiron - an integrated development environment (IDE) for computational materials science.
• pymatgen — Python Materials Genomics is a robust materials analysis code that defines core object representations for structures
• pynta-flow — An automated workflow for reaction path exploration on metallic surfaces
• pyprocar — A Python library for electronic structure pre/post-processing.
• pyscal-rdf — Ontology based structural manipulation and quering
• pysipfenn — Python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, dilute, and random atomic configurations, and (3) automated model tuning.
• pyTEMlib — pyTEM: TEM Data Quantification library through a model-based approach
• pyxtal — Python code for generation of crystal structures based on symmetry constraints.
• pyxtal-ff — Python code for force field training of crystals
• ramannoodle — Calculate Raman spectra from first-principles calculations.
• robocrys — Automatic generation of crystal structure descriptions
• sagar — Structures of Alloys Generation And Recognition
• seekpath — A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
• shore-pkg-geonda — python wrapper for OCEAN-FEFF
• SHRY — no summary
• SMACT — Semiconducting Materials by Analogy and Chemical Theory
• smatool — "SMATool - Automated toolkit for computing zero and finite-temperature strength of materials",
• Soprano — A Python library to crack crystals
• sovapy — SOVA (Structural Order Visualization and Analysis) with python
• spap — This program can analyze symmetry and compare similarity of atomic structures.
• sparc-dft-api — Python Wrapper for the SPARC-X DFT Code
• spglib — This is the spglib module.
• spgrep — On-the-fly generator of space-group irreducible representations
• spgrep-modulation — Collective atomic modulation analysis with irreducible space-group representation
• spin-phonon-suite — A package for performing spin-phonon coupling calculations with openMOLCAS, VASP, and Gaussian
• spinspg — Python package for detecting spin space group on top of spglib