Minerals Cloud
Change the repository type filter
All
Repositories list
66 repositories
.github
Public- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.
- A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
- This package contains some basic functionalities of Crystallography.jl
- Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
- A plugin of Express.jl for handling the ab initio software Quantum ESPRESSO
- Create any job from Julia functions
- A notation system in crystallography for lattice planes in crystal (Bravais) lattices
- Plotting recipes for equations of state
- A Julia wrapper of Quantum ESPRESSO commands with configurations
- This package could handle the interaction with Quantum ESPRESSO software
- Provides a common API that shared by some ab initio software
QuantumESPRESSOParser.jl
PublicParses the input/output files of Quantum ESPRESSO to extract dataExpressCommands.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 Julia- Calculate linear elasticity for some crystals
QuasiHarmonicApprox.jl
Public- Implements the basic functionalities of LinearElasticity.jl
- Format Quantum ESPRESSO input files
geothermpy
PublicA Python package that can calculate the isentropic geotherm from thermodynamic properties- Semiemperical quasiharmonic thermal elasticity
- A Python package that can verify the necessary and sufficient elastic stability conditions in various crystal systems
- Demystify the undocumented Quantum ESPRESSO input/output