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