Minerals Cloud's repositories
Express.jl
Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
QuantumESPRESSOBase.jl
Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.
EquationsOfStateOfSolids.jl
A Julia package for fitting the equation of state of solids, and more
qe-demystify
Demystify the undocumented Quantum ESPRESSO input/output
elastic-stability-conditions
A Python package that can verify the necessary and sufficient elastic stability conditions in various crystal systems
EasyJobs.jl
Create any job from Julia functions
SimpleWorkflows.jl
A simple workflow engine powered by Julia
CrystallographyBase.jl
This package contains some basic functionalities of Crystallography.jl
MillerIndices.jl
A notation system in crystallography for lattice planes in crystal (Bravais) lattices
QuantumESPRESSOCommands.jl
A Julia wrapper of Quantum ESPRESSO commands with configurations
AbInitioSoftwareBase.jl
Provides a common API that shared by some ab initio software
ExpressCommands.jl
The command-line interface of Express.jl
LinearElasticity.jl
Calculate linear elasticity for some crystals
EquationOfStateRecipes.jl
Plotting recipes for equations of state
geothermpy
A Python package that can calculate the isentropic geotherm from thermodynamic properties
QuantumESPRESSO.jl
This package could handle the interaction with Quantum ESPRESSO software
QuantumESPRESSOFormatter.jl
Format Quantum ESPRESSO input files
QuantumESPRESSOParser.jl
Parses the input/output files of Quantum ESPRESSO to extract data
LinearElasticityBase.jl
Implements the basic functionalities of LinearElasticity.jl
QuantumESPRESSOExpress.jl
A plugin of Express.jl for handling the ab initio software Quantum ESPRESSO
QuasiHarmonicApprox.jl
A Julia version of https://github.com/MineralsCloud/qha (in progress)