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PublicCrystallographyCore.jl
PublicThis package contains some core functionalities of Crystallography.jlAbInitioSoftwareBase.jl
PublicProvides a common API that shared by some ab initio softwareQuantumESPRESSOBase.jl
PublicProvides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.EasyJobs.jl
PublicCreate any job from Julia functionsSimpleWorkflows.jl
PublicA simple workflow engine powered by JuliaSimpleWorkflowRecipes.jl
PublicMillerIndices.jl
PublicA notation system in crystallography for lattice planes in crystal (Bravais) lattices- A Julia wrapper of Quantum ESPRESSO commands with configurations
LinearElasticityBase.jl
PublicImplements the basic functionalities of LinearElasticity.jlQuasiHarmonicApprox.jl
PublicA Julia version of https://github.com/MineralsCloud/qha (in progress)CifAPI.jl
Public- Plotting recipes for equations of state
ExpressCommands.jl
PublicThe command-line interface of Express.jl- Format Quantum ESPRESSO input files
CrystallographyBase.jl
PublicThis package contains some basic functionalities of Crystallography.jlCrystallography.jl
PublicProvides some crystallography operationscij
PublicSemiemperical quasiharmonic thermal elasticityExpress.jl
PublicExpress: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community- A Julia package for fitting the equation of state of solids, and more
QuantumESPRESSOParser.jl
PublicParses the input/output files of Quantum ESPRESSO to extract dataqha
PublicA Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations- A plugin of Express.jl for handling the ab initio software Quantum ESPRESSO
QuantumESPRESSO.jl
PublicThis package could handle the interaction with Quantum ESPRESSO softwareLinearElasticity.jl
PublicCalculate linear elasticity for some crystalsPyQHACompat.jl
Publicgeothermpy
PublicA Python package that can calculate the isentropic geotherm from thermodynamic properties- A Python package that can verify the necessary and sufficient elastic stability conditions in various crystal systems
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