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Number solver #162
Merged
vossjo
merged 40 commits into
SUNCAT-Center:master
from
sudarshanv01:update-numbers-solver
Nov 2, 2023
Merged
Number solver #162
vossjo
merged 40 commits into
SUNCAT-Center:master
from
sudarshanv01:update-numbers-solver
Nov 2, 2023
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…instead of coverages)
…with n+1 elements for the numbers solver
…lver. Issue of d/dtheta_s still remains
…uffering from lack of convergence
…. it concludes the slab.
…ails to get a solution
…e sites with new solver
…easonably similar
…or changes to mapper to break on debug
…tests accordingly
vossjo
approved these changes
Nov 2, 2023
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Changed and added files
This pull request contains the
numbers
solver, details of which may be found in in this manuscript. In brief, this merge request contains the following features:catmap.solvers.solver_base.NewtonRootNumbers
: which is a modification of the Newton-root code to deal with numbers instead of coveragescatmap.solvers.numbers_solver
: which houses somewhat stand-alone classes that are responsible for converting numbers into coverages, as well as providing some important derivatives needed in the rest of the code.catmap.solvers.steady_state_solver
to provide "hooks" wherenumbers_solver
classes can be used instead of the coverage solver.thermodynamics
andmin_resid_mapper
to facilitate the right quantities being passed around.pytest
are stored in thetests
directory. I only test the classes and methods that I implement in the solver routines in this nerge request, no further testing of the code is done.Practical details
The easiest way to activate the numbers solver is to use the following keys:
use_numbers_solver = True
Optional flags
A few different variations of the solver are possible.
fix_x_star: bool
fixed x_star if set to True andnumbers_type: str = squared | exponential
decides if the conversion from numbers to coverage is done by a squared function or an exponential function.