A simple composition-based feature vectorization utility in Julia
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Updated
Apr 20, 2022 - Julia
A simple composition-based feature vectorization utility in Julia
loss optimization under unitary constraint
Automatic Differentiation of Interatomic Potentials with Phonons in Julia: ADIP².jl
Plotting crystal structures and relevant data obtained from CrystallographyBase.jl and Crystallography.jl
Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.
Implements the basic functionalities of LinearElasticity.jl
This package could handle the interaction with Quantum ESPRESSO software
A command-line interface to EquationsOfState.jl (in progress)
This package contains some core functionalities of Crystallography.jl
A notation system in crystallography for lattice planes in crystal (Bravais) lattices
A Julia-Python interface of https://github.com/MineralsCloud/qha
This package contains some basic functionalities of Crystallography.jl
A plugin of Express.jl for handling the ab initio software Quantum ESPRESSO
A Julia implementation of the Fermi–Dirac operator (matrix) expansion using different methods
Calculate linear elasticity for some crystals
Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
Provides some crystallography operations
Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations
Support for reading and using pseudopotentials in Julia
RHEOS - Open Source Rheology data analysis software
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