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/pgm
Calculate thermodynamic properties of matter using phonon gas model (PGM)
MineralsCloud/phdg
Thermo phase diagrams with ease.
MineralsCloud/EPAW
A code for evolutionary optimization of PAW datasets especially for high-pressure applications
MineralsCloud/Crystallography.jl
Provides some crystallography operations
MineralsCloud/WorkshopFall2022
This repository contains the setup files/resources for the workshop held by our group in Columbia Global Center, Nairobi, and Technical University of Kenya in 2022.
MineralsCloud/CrystallographyCore.jl
This package contains some core functionalities of Crystallography.jl
MineralsCloud/EasyJobsBase.jl
This package contains the core functionalities of EasyJobs.jl
MineralsCloud/EquationsOfState.jl
A Julia package for fitting the equations of state
MineralsCloud/ExpressBase.jl
This package defines some basic types and functions used by the Express.jl package.
MineralsCloud/Pseudopotentials.jl
A Julia package that provides operations of a database with pseudopotential datasets
MineralsCloud/PyQHA.jl
A Julia-Python interface of https://github.com/MineralsCloud/qha
MineralsCloud/AbInitioSoftware.jl
MineralsCloud/Bibliographies.jl
DEPRECATED since we have Bibliography.jl now
MineralsCloud/CrystallographyRecipes.jl
Plotting crystal structures and relevant data obtained from CrystallographyBase.jl and Crystallography.jl
MineralsCloud/delta-AlOOH-data-2023
Raw data for manuscript "High throughput sampling of phase space with deep learning potentials: δ-AlOOH at geophysical conditions" (https://arxiv.org/abs/2309.06712).
MineralsCloud/ElasticStabilityConditions.jl
[DEPRECATED] In favor of LinearElasticity.jl
MineralsCloud/EquationsOfStateOfSolidsBase.jl
MineralsCloud/EquationsOfStateOfSolidsFitting.jl
MineralsCloud/ExpressDB.jl
MineralsCloud/expresspy
This was a Python version of the express project before Express.jl. Now it is archived.
MineralsCloud/ExpressRecipes.jl
MineralsCloud/ExpressWorkflowMaker.jl
MineralsCloud/Geotherm.jl
A Julia package that can calculate the isentropic geotherm from thermodynamic properties
MineralsCloud/LinearElasticityRecipes.jl
MineralsCloud/PseudopotentialArtifacts
MineralsCloud/QuantumESPRESSOExtensions.jl
MineralsCloud/QuantumESPRESSOHelpers.jl
MineralsCloud/SimplePhaseDiagrams.jl
MineralsCloud/SoftwareCommands.jl
MineralsCloud/WorkflowRecipes.jl