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182 commits

Author SHA1 Message Date
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
Ray Speth
5e35ca5486 [1D] Allow replacing flow domain grid after creating Sim1D 
This makes it possible to try solving on a different grid if the initial
solution attempt fails without needing to recreate the Sim1D object.
 2016-03-27 17:07:36 -04:00
Ray Speth
9353a79da2 [1D] Switch to "steady mode" before attempting steady-state solve 
The solver could previously get left in transient mode if an exception occurred
during time stepping, making it impossible to make a new attempt at solving the
steady-state problem.
 2016-03-27 17:07:36 -04:00
Ray Speth
80b8cd7e2b [1D] Remove Bdry1D::m_nv which shadowed Domain1D::m_nv 2016-03-27 17:07:36 -04:00
Ray Speth
9f3821db82 [1D] Use most prevalent species to impose sum-of-mass-fractions constraint 
Previously, the first species was always used, which could cause problems with
negative mass fractions in cases where the first species has a mass fraction
near zero.
 2016-03-27 17:07:36 -04:00
Ray Speth
af5bbf74a4 [1D] Improve Jacobian evaluation for ReactingSurf1D 
Don't normalize coverages when evaluating the residual normally -- only as part
of recovering from a failed timestep, like what is done in StFlow.
 2016-03-27 17:07:36 -04:00
Ray Speth
1f3e8dd0d7 [1D] Raise exception if previous solution does not exist 2016-03-27 17:07:36 -04:00
Ray Speth
7ba668109e [1D] Increase default value for maximum timestep 
This accelerates convergence of the solver in some cases.
 2016-03-27 17:07:36 -04:00
Ray Speth
81074b2b4a [1D] Add function for restoring last successful steady-state solution 2016-03-27 17:07:36 -04:00
Ray Speth
29b704916c [1D] Set limit on number of timesteps without reaching steady state 2016-03-27 17:07:36 -04:00
Ray Speth
11b665b00a [1D] Keep track of number of time steps taken before each steady-state solve 2016-03-27 17:07:35 -04:00
Ray Speth
318fa04cf7 [1D] Reset negative species concentrations after a failed time step 2016-03-27 17:07:35 -04:00
Ray Speth
832ee88692 [1D] Add ability to access last successful timestepped solution 
This can be helpful when debugging 1D solver failures.
 2016-03-25 12:21:19 -04:00
Ray Speth
5a576a7c75 [1D] Tighten default negative species bounds 2016-03-25 12:21:19 -04:00
Ray Speth
011c9cb6c3 [1D] Improve finite-difference Jacobian 
Preserve the sign of elements of the solution vector when perturbing them in
order to avoid triggering discontinuous behavior as the cross zero (which is
caused by the way rate evaluation is handled for negative species
concentrations).
 2016-03-25 12:21:19 -04:00
Ray Speth
d76704912b [1D] Fix transient mask after Jacobian update 
The transient mask should only be zeroed when doing a full evaluation of the
residual function, since the partial evaluations done while evaluating the
Jacobian will not fill in all elements of the mask. This error was causing
Jacobian update in MultiNewton::solve to always effectively generate the
steady-state Jacobian, even when in time-stepping mode.
 2016-03-25 12:21:19 -04:00
Ray Speth
d20ab891e8 [1D] add function for getting info about a solution component 2016-03-25 12:21:19 -04:00
Ray Speth
39a6819bf3 [1D] Only reset Jacobian age after successful *steady-state* solve 2016-03-25 12:21:19 -04:00
Ray Speth
f44b5fed57 Replace usage of int2str with cppformat and deprecate int2str 2016-02-04 19:11:49 -05:00
Ray Speth
f91afda8cb Replace usage of fp2str with cppformat and deprecate fp2str 2016-02-04 19:11:45 -05:00
Ray Speth
4887775109 Eliminate unnecessary counter member variables 2015-12-01 15:54:55 -05:00
Ray Speth
f5ff849b47 Replace std::copy with simpler direct assignment where possible 2015-11-12 17:35:30 -05:00
Ray Speth
34ff39e3df Clean up Doxygen docs and comments in OneD classes 2015-11-12 11:41:34 -05:00
Ray Speth
0647823ada Replace DATA_PTR macro with calls to data() 2015-10-17 18:58:50 -04:00