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/phq
phq: a Fortran code to compute phonon quasiparticle properties and dispersions
MineralsCloud/jlguide
MineralsCloud/CommandLineEquationsOfState.jl
A command-line interface to EquationsOfState.jl (in progress)
MineralsCloud/gitguide
MineralsCloud/pyguide
MineralsCloud/VariableCellShapeMolecularDynamics.jl
(in progress)