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Author SHA1 Message Date
Ray Speth
c2863ce4be [Python] Add UnitSystem.convert_to / convert_activation_energy_to 2023-04-18 09:33:15 -05:00
Ray Speth
8ff7a71ae8 [Cython] Update function names for AnyMap conversions 2023-04-18 09:33:15 -05:00
Ray Speth
4b88a20d34 [Cython] Retain units info when converting AnyMap to Python 2023-04-18 09:33:15 -05:00
Ray Speth
803f106c37 [Cython] Use built-in declarations for shared_ptr 2023-04-18 09:33:15 -05:00
Ray Speth
6e2a5c0a41 [Equil] Handle factorization errors in initial estimator 
Fixes #1473
 2023-04-17 17:56:28 -05:00
Ingmar Schoegl
055a530af4 Bump version to 3.0.0a5 2023-04-16 16:29:08 -04:00
Ingmar Schoegl
0c6a566d0b [onedim] Fix order of components 
A domain may define extra state entries added after species, where the
appropriate order needs to be maintained.
 2023-04-16 16:29:08 -04:00
Ingmar Schoegl
2f98dd402a Fix doxygen copydoc targets 2023-04-16 16:29:08 -04:00
Ingmar Schoegl
a1ca8d0d4d [Python] Use UnstrainedFlow for BurnerFlame 2023-04-14 15:37:13 -04:00
Ingmar Schoegl
ef8c935b2c [oneD] Add unstrained-flow domain 2023-04-14 15:37:13 -04:00
Ingmar Schoegl
708a8bfbba [CI] Force system_highfive on windows-2022 2023-04-14 13:06:45 -04:00
Ingmar Schoegl
bc07e52332 [HDF] Enable native HighFive Boolean 2023-04-14 13:06:45 -04:00
Ingmar Schoegl
4569fcdcd3 [HDF] Fix clash of names with new upstream function 
HighFive 2.7.0 introduces a new create_enum_boolean function, which
clashes with an existing local function in Storage.cpp.
 2023-04-14 13:06:45 -04:00
Ingmar Schoegl
cffcca7e7b [SCons] Detect HighFive version 
Also use system installation by default.
 2023-04-14 13:06:45 -04:00
Ingmar Schoegl
1f1751b16c [unittest] Add tests for SolutionArray.info 2023-04-10 21:59:35 -04:00
Ingmar Schoegl
38b51fd7f7 [Python] Detect width of terminal for SolutionArray.info 2023-04-10 21:59:35 -04:00
Ingmar Schoegl
756f595604 [Python] Support select_species in SolutionArray 2023-04-10 21:59:35 -04:00
Ingmar Schoegl
ec454fce6a [SolutionArray] Select keys in SolutionArray::info 2023-04-10 21:59:35 -04:00
Ingmar Schoegl
1df5ec4f3c [Python] Use SolutionArray.info for __repr__ 2023-04-10 21:59:35 -04:00
Ingmar Schoegl
b9b84738dc [Python] Add SolutionArray.info 2023-04-10 21:59:35 -04:00
Ingmar Schoegl
0b7b493667 [SolutionArray] Implement SolutionArray::info 2023-04-10 21:59:35 -04:00
Anthony Walker
9f25dd5ee3 Typo fixes and move setting of composition dependence. 2023-04-10 21:01:41 -04:00
Anthony Walker
03d1ecd13c This commit fixes types, updates tests, and composition dependence 
`test_net_rop_ddCi` was updated to use and account for reaction orders
appropriately. Many updates to docstrings and comments. Typo fixes.
usesCoverageDependence was also implemented in a more generic manner
so it can be extended to other reaction types.
 2023-04-10 21:01:41 -04:00
Anthony Walker
cfee65f854 This commit adds some simple reactor jacobian tests and fixes bugs 
The indexing has been fixed and works with multiple surfaces correctly avoiding
non-interacting phases. Tests were added to compare simple surface jacobians, gas
phase jacobians, and single reactions. Removed surface contribution to energy
equation terms as these contributions are not currently included in the system
of equations and caus spurious entries.
 2023-04-10 21:01:41 -04:00
Anthony Walker
f3ebe53415 This commit addresses requested PR changes. 
Updating documentation, notation, renaming, etc. It also fixes some
bugs that were founded. It finally adds a couple of methods to specify
if a surface has certain reaction types
 2023-04-10 21:01:41 -04:00
Anthony Walker
30369efdcd Fix documentation building and change _ddN to _ddCi 2023-04-10 21:01:41 -04:00
Anthony Walker
69d63d5f2b Implement other _ddN interfaces, tests, and missing interface functions 2023-04-10 21:01:41 -04:00
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