27 Packages since 2018
User Packages

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

Express.jl14Express: a highlevel, extensible workflow framework for accelerating ab initio calculations for the materials science community

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

EasyJobs.jl5Create any job from Julia functions

QuantumESPRESSOCommands.jl3A Julia wrapper of Quantum ESPRESSO commands with configurations

CrystallographyBase.jl3This package contains some basic functionalities of Crystallography.jl

Crystallography.jl3Provides some crystallography operations

SimpleWorkflows.jl2A simple workflow engine powered by Julia

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

UnifiedPseudopotentialFormat.jl1

EquationsOfState.jl1A Julia package for fitting the equations of state

ExpressBase.jl1This package defines some basic types and functions used by the Express.jl package.

ExpressCommands.jl1The commandline interface of Express.jl

LinearElasticity.jl1Calculate linear elasticity for some crystals

MillerIndices.jl1A notation system in crystallography for lattice planes in crystal (Bravais) lattices

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

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

EquationOfStateRecipes.jl1Plotting recipes for equations of state

QuantumESPRESSOFormatter.jl1Format Quantum ESPRESSO input files

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

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

CrystallographyRecipes.jl0

LinearElasticityBase.jl0Implements the basic functionalities of LinearElasticity.jl

EasyJobsBase.jl0This package contains the core functionalities of EasyJobs.jl

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

SimpleWorkflowRecipes.jl0

QuantumESPRESSO.jl0This package could handle the interaction with Quantum ESPRESSO software
View all packages