Published October 23, 2024
| Version 1.0
Computational notebook
Open
An unconstrained formulation for complex solution phase minimization (Codes)
Creators
Description
Julia scripts used in Riel et al., "An unconstrained formulation for complex solution phase minimization".
unconstrained_CG_BFGS/nullMin.jl
- Tests the unconstrainted solution phase formulation using the CG and BFGS methods
- The scripts include spinel, clinopyroxene and amphibole as formulated in Holland et al., 2018.
- Gibbs hyperplanes for each phase have been computed using MAGEMin and the igneous database at the following conditions:
1. 12 kbar and 1100 °C for spinel
2. 3.26 kbar and 906.25 °C for the spinel solvus test
3. 12 kbar and 1100 °C for clinopyroxene
4. 5 kbar and 650 °C for amphibole
inequality_constrained_CCSAQ_SLSQP/NLopt_call_using_MAGEMin.jl
- Tests the inequality constrained formulation of the solution phase by calling NLopt through MAGEMin and using the CCSAQ and SLSQP methods
- The scripts include spinel, clinopyroxene and amphibole as formulated in Holland et al., 2018.
- Gibbs hyperplanes for each phase have been computed using MAGEMin and the igneous database at the following conditions:
1. 12 kbar and 1100 °C for spinel
2. 3.26 kbar and 906.25 °C for the spinel solvus test
3. 12 kbar and 1100 °C for clinopyroxene
4. 5 kbar and 650 °C for amphibole
To fully reproduce the results, clone or download this repository and launch Julia in project mode julia --project from the folder GradientBasedMinimizers and instantiate or resolve the dependencies from within the REPL in package mode julia> ].
The scripts can be launched either from the REPL:
julia> include("GradientBasedMinimizers/NLopt_call_using_MAGEMin.jl")
or executed from the shell as:
julia --project GradientBasedMinimizers/NLopt_call_using_MAGEMin.jl
Files
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Additional details
Software
- Repository URL
- https://github.com/ComputationalThermodynamics/SandBox
- Programming language
- Julia
- Development Status
- Active