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Author SHA1 Message Date
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
73246130fa [1D] Fix docstrings for OneDim::eval and StFlow::eval 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
f0a1e25cd9 [1D] Better initial grid for CounterflowPremixedFlame 2016-03-25 12:21:19 -04:00
Ray Speth
a9293c3168 [1D] Use nonzero initial guess for FreeFlame mass flow rate 
This helps avoids timestepping errors in the first timestep
 2016-03-25 12:21:19 -04:00
Ray Speth
de8348ecb2 [1D] Use a better default initial grid for FreeFlame 
This initial grid is designed to work well with how the initial profile and
temperature fixed point are set. The only parameter that needs to be
user-specified is the width of the domain.
 2016-03-25 12:21:19 -04:00
Ray Speth
7484827f2b [1D] Modify fixed temperature selection to keep grid more uniform 
The previous method for setting the fixed temperature point could add a point
very close to an existing grid point, which could then make convergence on the
initial grid difficult.
 2016-03-25 12:21:19 -04:00
Ray Speth
ac246a2f97 [Doc] Argument for Falloff parameters is 'params' not 'coeffs' 
Resolves #327
 2016-03-23 11:52:04 -04:00
Ray Speth
60efb22b87 [Kinetics] Always initialize FalloffReaction.falloff 
Fixes #326
 2016-03-23 11:42:32 -04:00
imitrichev
a175c72f2c Add compilation guidelines for Fedora, and other notes 
Other notes include packages required for python3 module and packages
required to use prebuilt system blas and lapack.
Cantera installation was tested to be successful on Fedora 20 and Fedora 22.

Resolves #324
 2016-03-06 19:19:29 -05:00
imitrichev
8b3557ee4d Clarified surface coverage modification equation 
Now it is shown it is identical to equation from Sphinx cti
module docs (eq. also used in Surface CHEMKIN)

Resolves #322
 2016-03-06 19:11:16 -05:00
imitrichev
a68cdecd94 [Test] Add test for specifying non-reactant orders in CTI files 2016-02-27 14:14:51 -05:00
imitrichev
7e71645efb [CTI/CTML] Add 'nonreactant_orders' option to allow non-reactant orders 
The flag 'allow_nonreactant_orders' in class Reaction is set to 'true' when
using this option in cti/ctml.

Resolves #317
Resolves #321
 2016-02-27 14:10:35 -05:00
Ray Speth
f0e6d090dc [Fortran] Fix for multiple definitions of '_xml' function 
This was causing linker errors when trying to link with the Fortran library.
 2016-02-24 18:59:23 -05:00
pwcnorthrop
1183479f88 Add RedlichKister tests and sample case for LiC6 electrode 
See #293
 2016-02-17 23:34:36 -05:00
pwcnorthrop
125d2e0e23 Add RedlichKisterVPSSTP::s_update_dlnActCoeff_dlnX_diag() 
Fixes bug in RedlichKisterVPSSTP::getlnActCoeffdlnX_diag() which would always return 0

Resolves #293
 2016-02-17 23:34:36 -05:00
Bryan W. Weber
db769a47c7 Bump in-progress version to 2.3.0a2 2016-02-06 07:44:10 -05:00
Bryan W. Weber
5b483a8c22 The cantera_version should not be an option 2016-02-06 07:44:10 -05:00
Bryan W. Weber
58551b4813 [Doc] Cantera supports Python 3.5 2016-02-06 07:44:09 -05:00
Bryan W. Weber
848650f4fb [Doc] Fix copyright year 2016-02-06 07:44:09 -05:00
Ray Speth
b55c8fe813 Replace overly-specific exception types with CanteraError 
Deprecate exception types which are now unused.
 2016-02-04 19:34:26 -05:00
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
b0230fb146 Modify BandMatrix to avoid unnecessary casts from size_t to int 2016-02-04 14:45:36 -05:00
Ray Speth
9a8d24463d [Test] Add tests for class BandMatrix 2016-02-04 14:45:36 -05:00
Ray Speth
4c58f11dd8 Improve use of local variables in src/base 2016-02-04 14:45:36 -05:00
Ray Speth
484da253da Use cppformat instead of stringstream in some places 2016-02-04 14:45:21 -05:00
Ray Speth
785b829b5d [Doc] Update SCons installation instructions 
- 64-bit Windows installers are now available.
- Download URL has changed.
 2016-02-03 19:57:06 -05:00
Ray Speth
84ede11e6a Remove unimplemented method SimpleTransport::updateViscosities_C 2016-02-02 23:14:35 -05:00
Ray Speth
51e0c9158a [Python/1D] Generalize initial profile generation for diffusion flames 
The calculation of the stoichiometric mixture composition now works for
arbitrary fuel and oxidizer mixtures, including multi-component fuels and fuels
containing oxygen. In addition, it is not necessary to specify any additional
arguments when generating the initial profile.
 2016-02-02 15:03:11 -05:00
Ray Speth
28156cc511 [Doc] Use proper memory management in C++ examples 2016-02-01 19:23:44 -05:00
Ray Speth
a374d8b0fe [Doc] Fix formatting in C++ guide 2016-02-01 15:23:23 -05:00
Ray Speth
98d1bacd01 [Doc] Update versions of Python and Ubuntu with prebuilt binaries 2016-02-01 14:49:16 -05:00
Ray Speth
89dc89823b [Doc] Current Windows Python installers already include pip 2016-02-01 14:47:44 -05:00
Ray Speth
e07b7b22dc [1D] Make diffusion flame profile generation work with lowercase 'o2' 2016-01-29 18:19:13 -05:00
Ray Speth
4379a076ab [Python] Print values which cause exceptions in the error message 2016-01-29 16:36:54 -05:00
Ivan Mitrichev
c3d154fd72 [ctml] fix molecular geometry (nonlin -> nonlinear) 
Fix list of allowed values. Remove incorrect default value.

Resolves #316.
 2016-01-29 16:30:40 -05:00
Ray Speth
8b64b6f4f7 [Matlab] Fix printing of error messages 2016-01-29 15:38:13 -05:00
Bryan W. Weber
97697e09e1 Overwritten -> Overridden 2016-01-25 13:14:50 -05:00
Bryan W. Weber
02f0e273d9 Add a note about the state setters to PureFluidPhase 2016-01-25 13:14:50 -05:00
Bryan W. Weber
bff8d10609 [Matlab] Add interface to the new PureFluid property pairs 2016-01-25 13:14:50 -05:00
Bryan W. Weber
c1f287d648 [C API] Add interface to the new PureFluid property pairs 2016-01-25 13:14:50 -05:00
Bryan W. Weber
71e2101cdf [Test] Add tests for new PureFluid property pairs 2016-01-25 13:14:50 -05:00
Bryan W. Weber
4220692d0d Whitespace fixup in test_purefluid.py 2016-01-25 13:14:50 -05:00
Bryan W. Weber
49cb039536 [Cython] Add interface for new PureFluid property pairs 2016-01-25 13:07:34 -05:00
Bryan W. Weber
af81729504 [Cython] Add units to PureFluid property docstrings 2016-01-25 13:07:34 -05:00
Bryan W. Weber
50a97063b7 Reduce relative tolerance of state setter in Substance 
Reduce the relative tolerance from 3.e-8 to 1.e-8.
 2016-01-25 13:07:34 -05:00
Bryan W. Weber
63cfed1503 Add functions to set property pairs specified in Sub.cpp 
Add functions to set the unimplemented property pairs specified
in the Substance::Set function of Sub.cpp
 2016-01-25 13:07:34 -05:00
Bryan W. Weber
31316b7079 Switch PureFluidPhase to use double instead of doublereal 2016-01-25 13:07:34 -05:00