26 Packages since 2018
User Packages

Express.jl25Express: a highlevel, extensible workflow framework for accelerating ab initio calculations for the materials science community

QuantumESPRESSOBase.jl14Provides basic data structures and helpful functions for manipulating structures, generating input files, prerunning error checks, etc.

EquationsOfStateOfSolids.jl13A Julia package for fitting the equation of state of solids, and more

EasyJobs.jl6Create any job from Julia functions

SimpleWorkflows.jl6A simple workflow engine powered by Julia

MillerIndices.jl4A notation system in crystallography for lattice planes in crystal (Bravais) lattices

CrystallographyBase.jl4This package contains some basic functionalities of Crystallography.jl

Crystallography.jl3Provides some crystallography operations

QuantumESPRESSOCommands.jl3A Julia wrapper of Quantum ESPRESSO commands with configurations

LinearElasticity.jl2Calculate linear elasticity for some crystals

AbInitioSoftwareBase.jl2Provides a common API that shared by some ab initio software

CrystallographyCore.jl1This package contains some core functionalities of Crystallography.jl

QuantumESPRESSOFormatter.jl1Format Quantum ESPRESSO input files

EquationsOfState.jl1A Julia package for fitting the equations of state

Pseudopotentials.jl1A Julia package that provides operations of a database with pseudopotential datasets

PyQHA.jl1A JuliaPython interface of https://github.com/MineralsCloud/qha

QuantumESPRESSO.jl1This package could handle the interaction with Quantum ESPRESSO software

EquationOfStateRecipes.jl1Plotting recipes for equations of state

QuantumESPRESSOParser.jl1Parses the input/output files of Quantum ESPRESSO to extract data

QuantumESPRESSOExpress.jl0A plugin of Express.jl for handling the ab initio software Quantum ESPRESSO

ExpressCommands.jl0The commandline interface of Express.jl

Geotherm.jl0A Julia package that can calculate the isentropic geotherm from thermodynamic properties

UnifiedPseudopotentialFormat.jl0

LinearElasticityBase.jl0Implements the basic functionalities of LinearElasticity.jl

CrystallographyRecipes.jl0Plotting crystal structures and relevant data obtained from CrystallographyBase.jl and Crystallography.jl

SimpleWorkflowRecipes.jl0
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