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
• 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
• ase2sprkkr — ASE (atomic simulation environment) interface to SPRKKR
• asr — ASE recipes for calculating material properties
• 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.
• cavd — Crystal structure Analysis by Voronoi Decomposition
• 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.
• crystals — Data structures for crystallography
• crystex — no summary
• doped — Python package to setup, process and analyse solid-state defect calculations with VASP
• dragonfruit — Workflow tool
• dxutils — A small toolbox for computational solid state physics
• easyunfold — Collection of code for band unfolding
• 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!
• 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
• 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 percolation in solids
• 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
• jarvis-tools — jarvis-tools: an open-source software package for data-driven atomistic materials design. https://jarvis.nist.gov/
• 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
• 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.
• perconeb — A tool for finding percolation pathways in crystals
• phonopy — This is the phonopy module.
• pniggli — Structures of Alloys Generation And Recognition
• PyBigDFT — Python utilities for BigDFT
• pyDFTutils — utils for DFT/TB calculation
• 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 and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project (https://materialsproject.org).
• 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
• 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
• simple-build-dgcode — The Geant4-based coding framework originating in the ESS Detector Group, provided as a simplebuild bundle of packages.
• SMACT — Semiconducting Materials by Analogy and Chemical Theory
• smatool — "SMATool - Automated toolkit for computing zero and finite-temperature strength of materials",
• 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
• spinspg — Python package for detecting spin space group on top of spglib
• strucscan — no summary
• structure2symmetry — A python package to extract symmetry information from structure files, including POSCAR, CIF, and other format supported by ase.io.read.
• structuretoolkit — build, analyse and visualise atomistic structures for materials science
• sumo — Heavy weight plotting tools for ab initio solid-state calculations
• sumo2 — Heavy weight plotting tools for ab initio solid-state calculations
• surface-construct — Surface termination construction especially for complex model, such as oxides or carbides.
• SuSMoST — SUrface Science MOdeling and Simulation Toolkit
• T4ME — T4ME - Transport for Materials.
• uf3 — Ultra-Fast Force Fields for molecular dynamics
• vasp-suite — A package for creating and handling input files for vasp
• VASPsol — A VASPsol python helper package to simplify calculations and analysis
• wannierberri — Advanced tool for Wannier interpolation
• wulffpack — A package for making Wulff constructions