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Author SHA1 Message Date
Anthony Walker
f3df9b07e2 Update to MoleReactor surface jacobian function and test 
This commit updates the way the Jacobian is translated to the reactor
jacobian and fixes the bug that causes difference by a factor of area
and volume. A test is added to compare two reactors with various bulk
phases and different orders of the phases.
 2023-04-10 21:01:41 -04:00
Anthony Walker
05055e142d Comment changes and typo corrections 2023-04-10 21:01:41 -04:00
Anthony Walker
199ee2a3ed This commit removes corrections made to IdealGasConstPressureMoleReactor 
The corrections cause the matrices to become much more dense which
greatly dimishes improvements due to sparsity. It also adds routines
to scale the derivatives by appropriate terms based on the phase.
 2023-04-10 21:01:41 -04:00
Anthony Walker
b7ee632961 Update to mole reactor jacobians 
This commit fixes derivatives for IdealGasConstPressureMoleReactor and
updates IdealGasMoleReactor accordingly.
 2023-04-10 21:01:41 -04:00
Anthony Walker
1413fbfa37 Inherit test_tolerances to MoleReactors 
MoleReactors have varying orders of magnitude in comparsion to mass fraction
based Reactors. Tolerances that are too tight based on the state vector
cause test failures. This commit inherits the test and modifies tolerances
appropriately.
 2023-04-10 21:01:41 -04:00
Anthony Walker
1bc45abc2e This commit updates naming, docs, bugs, and makes other PR changes. 
`_ddN` was used for concentration based derivatives now. Missing
derivatives for surface chemistry were added which required some
refactoring of mole reactor interfaces and updates to those derivatives.
Some documentation was added and some of the requested PR changes were
handled.
 2023-04-10 21:01:41 -04:00
Anthony Walker
33b937a195 Some simple additions to check dimensions of utilities added 2023-04-10 21:01:41 -04:00
Anthony Walker
2eb3ddab5f Jacobian utilities for preconditioner and networks with a test 2023-04-10 21:01:41 -04:00
Anthony Walker
04888ece50 Update IdealGasMoleReactor to use more linear algebra calculations 
like IdealGasConstPressureMoleReactor
 2023-04-10 21:01:41 -04:00
Anthony Walker
1eb7ee203c Generalized preconditioning for gas phase reactors 2023-04-10 21:01:41 -04:00
Anthony Walker
4ee35e31be Surface chemistry Jacobian 2023-04-10 21:01:41 -04:00
Ingmar Schoegl
839048d351 [Cython] Fix external cantera cimport 2023-04-09 12:36:36 -04:00
Ingmar Schoegl
31607c3499 [Cython] Add missing constants.pxd file 2023-04-09 12:36:36 -04:00
Ingmar Schoegl
775fe6f710 [SCons] Remove unused LAPACK_NAMES_LOWERCASE option 2023-04-09 10:11:51 -04:00
Ingmar Schoegl
56d47be807 [SCons] Require Boost version 1.61 or newer 
Per release notes, Boost dll support was introduced in 1.61, see:
https://www.boost.org/users/history/version_1_61_0.html
 2023-04-09 10:11:51 -04:00
Ingmar Schoegl
5befe80c72 [SCons] Remove DARWIN variable 
Its only use is to set an alternative location for input data on macOS
 2023-04-09 10:11:51 -04:00
Ingmar Schoegl
1d964ef432 [Fortran] Remove unused NEED_ALT_MAIN occurrences 
The NEED_ALT_MAIN variable is not defined anywhere in the code
 2023-04-09 10:11:51 -04:00
Ingmar Schoegl
483f2f49bd [SCons] Remove SOLARIS variable 
The SOLARIS variable is no longer used in the C++ code.
 2023-04-09 10:11:51 -04:00
Ingmar Schoegl
f493f5be56 [unittests] Update unittests 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
85706c8b76 Improve nomenclature and docstrings 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
b8b3a16ff4 Remove h5py dependence 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
0b6a159858 [oneD] Remove hardcoded solution bounds 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
71e22f1600 [oneD] Remove hardcoded component indices 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
a3991c6676 [Python] Deprecate h5py support 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
527f88b47b [Python] Remove OrderedDict 
As of Python 3.7, dictionaries preserve order of insertion
 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
4b7bf2faea [Python] Prevent python_to_anyvalue conversion failures 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
afc9931d3b [Python] Deprecate FlameBase.solution 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
713c8570cb [Python] Convert FutureWarnings to DeprecationWarnings 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
1a3134567a [Python] Deprecate unused FlameBase.other_components 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
f6b6f4080a [Python] Deprecate obsolete 1D 'settings' properties 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
91c1684bde [Python] Update FlameBase/SolutionArray interfaces 
Deprecate obsolete Python route and associated helper functions.
 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
241713f611 [oneD] Update Domain1D/SolutionArray interface 
Rename Domain1D::restore to Domain1D::fromArray
Introduce alternative Domain1D::asArray/fromArray versions
 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
5541f6065e [oneD] Share data vectors as Domain1D::m_data 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
b735e75e8e [oneD] Replace Sim1D::m_x by OneDim::m_data 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
96ba55742e [unittest] Add gtest for SolutionArray::normalize 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
c12d94ee99 [SolutionArray] Implement SolutionArray::normalize 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
9b872641a7 [Python] Add ThermoPhase._native_mode 2023-04-09 10:09:10 -04:00
Ingmar Schoegl
124048f87b [Thermo] Add Phase::nativeMode / fix glitch 
Prevent automatic alphabetic ordering of states in
SolutionArray::componentNames
 2023-04-09 10:09:10 -04:00
g3bk47
4560e44ec6 [Python] Modify solution strategy for counterflow flames 2023-04-05 12:06:43 -05:00
Ingmar Schoegl
5e040312f7 [SCons] Safeguard against untested Python versions 2023-04-01 14:19:52 -05:00
Ingmar Schoegl
8b5a0e9fb0 [clib] Fix compiler warning 2023-03-21 08:59:17 -05:00
Ingmar Schoegl
3ea251020c [samples] Update file IO 2023-03-21 08:59:17 -05:00
Ingmar Schoegl
b7717ac464 [CI] Update pytest and google tests 2023-03-21 08:59:17 -05:00
Ingmar Schoegl
30d21073cc [Python] Add SolutionArray tweaks to API 2023-03-21 08:59:17 -05:00
Ingmar Schoegl
4406110573 [1D] Deprecate loglevel in save/restore 2023-03-21 08:59:17 -05:00
Ingmar Schoegl
5841dcda84 [SolutionArray] Do no return group name 2023-03-21 08:59:17 -05:00
Ingmar Schoegl
fe807d5986 [FileIO] Add 'overwrite' option to save routines 2023-03-21 08:59:17 -05:00
g3bk47
243fac5acf [Python] Clarify limitations of cascade model 2023-03-20 18:30:40 -05:00
g3bk47
38025a155e [Python] porous burner: address review 2023-03-20 18:30:40 -05:00
ThorstenZirwes
128e1c0efb Fix typos in samples/python/reactors/PorousMediaBurner.py 
Co-authored-by: Ray Speth <yarmond@gmail.com>
 2023-03-20 18:30:40 -05:00