Ray Speth
bf1e2b4b73
Implement delegation of ReactionRate::setParameters
2022-09-11 10:59:30 -04:00
Ray Speth
da59a9044a
Use decorator to register ExtensibleRate objects
2022-09-11 10:59:30 -04:00
Ray Speth
ad19892583
Provide better error messages for Python extensions
2022-09-11 10:59:30 -04:00
Ray Speth
bcade68e3d
Allow Delegator to delete Python rates
2022-09-11 10:59:30 -04:00
Ray Speth
cd7b90ff97
Register ExtensibleRate types with ReactionRateFactory
2022-09-11 10:59:30 -04:00
Ray Speth
4f45b14c98
Scan user-provided Python module for ExtensibleRate classes
2022-09-11 10:59:30 -04:00
Ray Speth
920adff6d6
Add machinery for managing user extensions
2022-09-11 10:59:30 -04:00
Ray Speth
0958f7cf31
[SCons] Extract Python module-building environment setup
2022-09-11 10:59:30 -04:00
Ray Speth
9875cb49f4
Make Delegator ownership optional for ExtensibleRate
2022-09-11 10:59:30 -04:00
Ray Speth
6e23308948
Pass an arbitrary argument to user rate function
2022-09-11 10:59:30 -04:00
Ray Speth
9dcb02c00b
Minimal implementation of ExtensibleRate
2022-09-11 10:59:30 -04:00
Anthony Walker
c91e9eba6f
Version documentation for MoleReactors
2022-09-09 13:51:46 -04:00
Anthony Walker
08698845e6
Updates to documentation
...
Co-authored-by: Ingmar Schoegl <ischoegl@lsu.edu>
2022-09-09 13:51:46 -04:00
Anthony Walker
a999ead68f
Implements MoleReactor and ConstPressureMoleReactor, tests, and docs.
...
This commit implements MoleReactor and ConstPressureMoleReactor classes,
it adds the appropriate python interfaces for them, it also adds a test
comparing surface chemistry of mole reactors to traditional reactors.
test_component_names had a bug because the network was not initialized
so self.net.n_vars was 0 and the loop was never entered. Adding a line
to initialize the network reveal that the test failed for
IdealGasMoleReactor so the appropriate lines were added to fix it.
Add wrappers for Extensible...MoleReactor, update docs, comment fixes.
2022-09-09 13:51:46 -04:00
Ingmar Schoegl
e3080edd57
[OneD] Clarify docstring for StFlow::m_trans_shared
2022-09-05 13:28:19 -04:00
Ingmar Schoegl
3b2978ec03
[oneD] Deprecate Sim1D::solution/getSolution
2022-09-05 13:28:19 -04:00
Ingmar Schoegl
d67a1aa4b4
Address review comments
...
Co-authored-by: Bryan Weber <bryan.w.weber@gmail.com>
2022-09-05 13:28:19 -04:00
Ingmar Schoegl
da3f19a600
Clarify C++ transportType() as transportModel() and deprecate old method
...
Transport::transportType() is not consistent with nomenclature used in the
Python API, which uses Transport.transport_model.
2022-09-05 13:28:19 -04:00
Ingmar Schoegl
9af42f701e
Clarify nomenclature for Solution::setTransportModel
2022-09-05 13:28:19 -04:00
Ingmar Schoegl
905709ce42
[samples] Create StFlow from Solution
2022-09-05 13:28:19 -04:00
Ingmar Schoegl
2b6b1a20bb
[UnitTest] Update oneD Python tests
2022-09-05 13:28:19 -04:00
Ingmar Schoegl
f2984b5ae4
[Python] Create OneD objects from Solution
2022-09-05 13:28:19 -04:00
Ingmar Schoegl
cad3ab5051
[OneD] Set pressure automatically
2022-09-05 13:28:19 -04:00
Ingmar Schoegl
79c0a79e2f
[OneD] Introduce Solution manager to OneD
2022-09-05 13:28:19 -04:00
Ingmar Schoegl
d03c0d6895
[OneD] Deprecate StFlow::setThermo
2022-09-05 13:28:19 -04:00
Ingmar Schoegl
de35145ef5
[OneD] Add docstrings for save/restore
2022-09-05 13:28:19 -04:00
Ingmar Schoegl
a64d2409ff
Bump version to 3.0.0a3
2022-09-02 08:49:05 -04:00
Ingmar Schoegl
97e9a9cbba
[samples] Fix fortran linking on macOS
2022-08-30 22:32:57 -05:00
Ingmar Schoegl
fd3f254691
[samples] Avoid redundant incdir/libdir entries
2022-08-30 22:32:57 -05:00
Ingmar Schoegl
009342ab33
[samples] Add missing F77 samples to SCons and unit tests
2022-08-30 22:32:57 -05:00
Ingmar Schoegl
b9762e8641
[samples] Fix f77 cxx flags
2022-08-30 22:32:57 -05:00
Ingmar Schoegl
af7625e052
[SCons] Remove unused code
...
The 'data' folder no longer has subfolders.
2022-08-30 13:45:34 -04:00
Ingmar Schoegl
e87749369e
[samples] Fix CMAKE_CXX_STANDARD
2022-08-30 13:45:34 -04:00
Ingmar Schoegl
5753715733
[SCons] Ensure paths use posix-style separators
2022-08-30 13:45:34 -04:00
Ray Speth
c7d84a7018
Document Jacobian approximations
2022-08-30 13:23:38 -04:00
Ray Speth
c69d2fd073
Return string from Preconditioner::preconditionerSide
2022-08-30 13:23:38 -04:00
Ray Speth
f6415bfa28
Fix Jacobian term calculations for IdealGasMoleReactor
2022-08-30 13:23:38 -04:00
Ray Speth
ae8ed3aeac
Fix Jacobian term calculations for IdealGasConstPressureMoleReactor
...
Make exclusion of terms that cause Jacobian to be dense explicit
rather than accidental.
Include full derivatives of species equation in the derivatives of the
energy equation, since this does not affect sparsity.
2022-08-30 13:23:38 -04:00
Ray Speth
57da9e3909
[Reactor] Make finite-difference Jacobian available
...
This is a useful reference for checking analytic or approximate Jacobian
formulations, even if it isn't a particularly good Jacobian to use for
integration generally.
2022-08-30 13:23:38 -04:00
Ray Speth
8c638bfa96
Implement IdealGasMoleReactor::componentName
2022-08-30 13:23:38 -04:00
Ray Speth
351db5c8a5
Fix temperature derivatives in reactor Jacobians
...
Finite differences were being calculated incorrectly due to the arguments
to the eval function being misinterpreted.
2022-08-30 13:23:38 -04:00
Ray Speth
357902cd3d
Fix temperature delta for IdealGasConstPressureMoleReactor
2022-08-30 13:23:38 -04:00
Ray Speth
3fc279ed31
Make Reactor Jacobian available in Python
2022-08-30 13:23:38 -04:00
Ray Speth
9101e60b0b
[Reactor] Remove unnecessary arguments from jacobian()
2022-08-30 13:23:38 -04:00
Ray Speth
5b2132a22e
[Python] Simplify and generalize conversion of sparse matrices
2022-08-30 13:23:38 -04:00
Ray Speth
2ec692c850
[Reactor] Use right preconditioning by default
...
Using right preconditioning provides a more reliable performance benefit
even after the ignition event, allowing the solver to take reasonable
timesteps and showing a CPU-time benefit even for a single reactor with
the 100-species n-dodecane mechanism.
2022-08-30 13:23:38 -04:00
Ray Speth
4dfbfab981
Allow specifying left or right preconditioning
2022-08-30 13:23:38 -04:00
Ray Speth
0d7ca269ac
Use override specifer in AdaptivePreconditioner
2022-08-30 13:23:38 -04:00
Ray Speth
245f851c81
Add more CVODES solver stats
2022-08-30 13:23:38 -04:00
Ray Speth
48b0998675
Combine CVODES stats retrieval functions
2022-08-30 13:23:38 -04:00
