Published October 23, 2024
| Version 1.0
Computational notebook
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An unconstrained formulation for complex solution phase minimization (Codes)
Authors/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