Minerals Cloud
Repositories list
67 repositories
.github
Publiclitcurate
Publicqha
PublicA Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculationsCrystallographyBase.jl
PublicThis package contains some basic functionalities of Crystallography.jlEasyJobs.jl
PublicCreate any job from Julia functionsCrystallographyCore.jl
PublicThis package contains some core functionalities of Crystallography.jlSimpleWorkflowRecipes.jl
PublicMillerIndices.jl
PublicA notation system in crystallography for lattice planes in crystal (Bravais) latticesQuantumESPRESSOBase.jl
PublicProvides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.QuasiHarmonicApprox.jl
PublicA Julia version of https://github.com/MineralsCloud/qha (in progress)CifAPI.jl
Public- Plotting recipes for equations of state
LinearElasticityBase.jl
PublicImplements the basic functionalities of LinearElasticity.jl- Format Quantum ESPRESSO input files
- A Julia wrapper of Quantum ESPRESSO commands with configurations
AbInitioSoftwareBase.jl
PublicProvides a common API that shared by some ab initio softwareQuantumESPRESSOParser.jl
PublicParses the input/output files of Quantum ESPRESSO to extract dataExpress.jl
PublicExpress: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science communityExpressCommands.jl
PublicThe command-line interface of Express.jl- A Julia package for fitting the equation of state of solids, and more
SimpleWorkflows.jl
PublicA simple workflow engine powered by JuliaLinearElasticity.jl
PublicCalculate linear elasticity for some crystalsQuantumESPRESSO.jl
PublicThis package could handle the interaction with Quantum ESPRESSO software- A plugin of Express.jl for handling the ab initio software Quantum ESPRESSO
Crystallography.jl
PublicProvides some crystallography operationscij
PublicSemiemperical quasiharmonic thermal elasticityPyQHACompat.jl
Publicgeothermpy
PublicA Python package that can calculate the isentropic geotherm from thermodynamic properties
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