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205 commits

Author SHA1 Message Date
Ray Speth
57b38ce40f [1D] Use tighter tolerances and bounds for charged species 
Looser tolerances can lead to instabilities, especially in cases where negative
concentrations of charged species are found at the end of the first solving
stage.
 2018-08-14 14:31:13 -04:00
bangshiuh
ee633f3e16 [1D] Change Poisson equation to first-order difference 2018-08-10 18:15:36 -04:00
bangshiuh
a5762ea6b6 [1D] Add function to set flow type and make IonFlow inherit from StFlow 2018-08-10 18:15:36 -04:00
Ray Speth
c1067aa6e9 [1D] Move functions from FreeFlame and AxiStagnFlow into StFlow 
This makes it possible to implement alternative constitutive relations
(e.g. ionized or non-ideal gases) as a derived class from StFlow and have them
support all of the standard flame configurations (freely propagating, burner
stabilized, counterflow).
 2018-08-10 18:15:36 -04:00
Ray Speth
c3ba264284 [1D] Fix IonFlame instability due to negative electron concentration 2018-07-30 10:47:49 -04:00
BangShiuh
fa9b9374cf [1D] Add polyfit for electron transport profile 2018-06-15 10:44:46 -04:00
bangshiuh
eeb27d84a9 [1D] Remove charge neutrality solver option from IonFlow 2018-06-15 10:44:46 -04:00
Bryan W. Weber
a03afbd56e
[1D] Throw an exception if transport state is inconsistent 
The user can enable Soret (thermal) diffusion or multicomponent
transport in either order, but attempts to solve flame problems with
Soret enabled and the mixture-averaged transport approximation will
result in an error
 2018-03-13 10:11:52 -04:00
bangshiuh
a99004d8ef add docstring and fix evalResidual 2017-09-22 18:47:18 -04:00
bangshiuh
2472e080c3 [1D] split updateProperties and add evalResidual 2017-09-22 18:47:18 -04:00
bangshiuh
1be8374342 [1D] delete unnecessary constrain and improve the code structure 2017-09-22 18:47:18 -04:00
Bryan W. Weber
bce4210e1b [1D] Adds getRefineCriteria function 2017-08-09 18:46:47 -04:00
Ray Speth
94a4439bd4 [1D] Impose upper temperature bound based on thermo data 
This fixes some platform-specific test failures when compiling in debug mode,
where estimated temperatures during the Newton iterations were too high,
resulting in non-finite reaction rates.
 2017-05-16 13:55:40 -04:00
Ray Speth
22ecade329 [1D] Use named offsets for solution components 2017-05-16 13:55:40 -04:00
bangshiuh
6b6d758f23 [1D] Use named offset constants instead of raw numbers 2017-05-16 13:55:40 -04:00
bangshiuh
9dd0134e31 [1D] Add function for importing transport of electron 2017-05-16 13:55:40 -04:00
bangshiuh
e2f718c65b [1D/Python] Add IonFlow to Python interface, with example and test 2017-05-16 13:55:40 -04:00
bangshiuh
3b12c6d662 [1D] Introduction of IonFlow flame class 
tested successfully with gri30
 2017-05-16 13:55:40 -04:00
Ray Speth
52dbe8c007 [1D] Correct handling of boundary conditions when energy equation is disabled 2017-03-29 18:46:30 -04:00
Ray Speth
7673f7cb52 Remove code deprecated in Cantera 2.3.0 2017-02-12 19:22:33 -05:00
Ray Speth
0bfdf146c0 [1D] Include transport derivatives when computing Jacobian for adjoint 2016-11-12 14:48:01 -05:00
Ray Speth
ca8b101acc [1D] Add general support for calculating adjoint sensitivities 2016-11-12 14:48:01 -05:00
Ray Speth
b9ac39bf68 [Numerics] Failures in BandMatrix raise exceptions 
Store the 'info' flag returned by the underlying LAPACK function so that callers
can catch the exception and retrieve this information if desired.

Eliminate automatic 'bandmatrix.csv' output.
 2016-11-11 23:18:22 -05:00
Bryan W. Weber
0b9a741597 [1D] Change the default max number of grid points to 1000. 
The previous default was 3000, which was very high for most domains.
 2016-11-11 17:40:46 -05:00
Bryan W. Weber
0a363a108d [1D] Exceeding the max number of grid points should be an error 2016-11-11 17:40:46 -05:00
Bryan W. Weber
6acf755670 [1D] Add maxPoints and maxGridPoints functions 2016-11-11 17:40:46 -05:00
Ray Speth
b01f9cd1e7 [1D] Remove temperature state variable from Surf1D and ReactingSurf1D 2016-10-30 21:35:20 -04:00
Ray Speth
0740131272 [1D] Remove 'dummy' variable from 1D boundaries 
Affects Empty1D, Symm1D, OutletRes1D, Outlet1D
 2016-10-30 21:35:20 -04:00
Ray Speth
52727a9550 [1D] Eliminate unnecessary state variables from Inlet1D 
We do not need to solve the trivial equations 'T = Tin' and 'mdot = mdot_in'.
 2016-10-30 21:35:20 -04:00
BangShiuh
859eb6b94a [1D] Deprecate 'withSoret' argument of setTransport 2016-10-24 18:57:05 -04:00
BangShiuh
6d5e28ec46 [1D] Use c_offset_Y instead of literal value "4" 2016-10-19 17:40:04 -04:00
Ray Speth
40630a3ab4 Fix const-ness of some function arguments 2016-10-15 20:50:15 -04:00
Ray Speth
f17750e483 Make species names case-preserving instead of case-sensitive 
This improves interoperability when working with mechanisms which use differing
conventions for naming species using uppercase or lowercase.
 2016-10-13 18:40:03 -04:00
Ray Speth
ae6e7fdff7 Add license/copyright info to files that were missing it 2016-10-10 22:48:23 -04:00
Ray Speth
ecbfecd7fd Replace existing copyright notices with uniform copyright/license info 2016-10-10 22:19:01 -04:00
Ray Speth
4582e724ee Eliminate compiler warnings issued by Visual Studio 2015 2016-07-30 23:09:17 -04:00
Ray Speth
bd8a5d0bc9 [Transport] Replace numerical constants for Transport types with strings 2016-07-07 22:52:25 -04:00
Ray Speth
cd958a343b [1D] Make better use of local variables 2016-06-28 17:35:40 -04:00
Ray Speth
efe43b389e [1D] Add callback hooks to make debugging 1D solver easier 
This allows one to define functions in Python which will be called after each
successful time step or steady state solve, from which the state of the solver
can be inspected.
 2016-05-14 17:24:16 -04:00
Ray Speth
ca2a330d5f [XML] Include file name in XML-related errors 
Resolves #40
 2016-05-03 15:03:51 -04:00
Ray Speth
6003af01a3 [XML] Add version of XML_Node::build that takes file name directly 2016-05-03 15:03:51 -04:00
Ray Speth
f4ad150905 [1D] Sim1D::setProfile checks range of position array 2016-04-18 20:00:15 -04:00
Ray Speth
a288d5c6f7 [1D] Make Jacobian atol independent of compiler optimizations 
If compiling with -funsafe-math-optimizations, this method of attempting to
calculate the floating point epsilon value would fail.
 2016-04-14 19:00:00 -04:00
Ray Speth
9ed23a57ab Move non-trivial functions out of header files 2016-04-08 19:13:09 -04:00
Ray Speth
4c5301d6cd [1D] Initialize number-of-steps counter at start of solve 
Fixes the enforcement of the maximum number of steps constraint if solve() is
called again after an exception.
 2016-03-28 17:13:24 -04:00
Ray Speth
0995725a13 [1D] Deprecate unused methods of Domain1D 2016-03-27 22:19:38 -04:00
Ray Speth
9c632cf123 [1D] Remove unused / unimplemented methods from StFlow 2016-03-27 22:19:37 -04:00
Ray Speth
d52a0fdbcb [1D] Eliminate redundant parts of StFlow::showSolution 2016-03-27 21:19:45 -04:00
Ray Speth
b56094b183 [1D/Examples] eliminate unnecessary setting of tolerances 
For most problems, these new default tolerances for both time stepping and
steady state solves are more likely to converge than tighter tolerances, but
still give well-resolved results. Tighter tolerances are required in some cases,
e.g. when evaluating sensitivity coefficients by finite difference.
 2016-03-27 17:07:36 -04:00
Ray Speth
059e657fe4 [1D/Examples] Use new default values for Jacobian and time stepping settings 
These values were selected for optimal performance across a large set of flames
in each configuration and using mechanisms of various sizes to give good average
performance. It should not generally be necessary for users to change these
values.
 2016-03-27 17:07:36 -04:00