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Author SHA1 Message Date
Ray Speth
3fd3691a6d Bump version for 2.0.2 maintenance release 2013-03-12 21:45:29 +00:00
Ray Speth
2dfc551925 Allow GasKinetics to more easily support derived classes 
Partial cherry-pick of r2181 that doesn't change the interface for existing
derived classes.
 2013-03-12 21:45:26 +00:00
Ray Speth
83cca43a3b [Python] Fixed an error when using a reactor heat flux function 
Fixes Issue 145.
 2013-03-04 17:30:36 +00:00
Ray Speth
dd89ab12b0 [Transport] Fixed update of multicomponent diffusion coefficients 
Certain temperature-dependent quantities used in computing multicomponent
diffusion coefficients were not being reliably updated. This caused convergence
issues for the 1D solver in some cases.

Cherry-pick of r2158 from trunk.
 2013-02-15 19:47:56 +00:00
Ray Speth
c1afa387e5 [Kinetics] Ensure that equilibrium constants are not zero 
This prevents reverse rate constants from becoming NaN when the forward rate
constant underflows.

Cherry-pick of r2157 from trunk.
 2013-02-15 19:47:52 +00:00
Ray Speth
38dfea4f87 [Kinetics] Fixed crashes when reaction mechanism contains no reactions 
Make sure several arrays are never of length zero so that taking &v[0]
is always well-defined.

Partial cherry-pick of r2138 from trunk.
 2013-02-15 19:47:47 +00:00
Ray Speth
adb4bd5838 Use qualified names for math functions in RxnRates.h 
See Issue 136.
Cherry-pick of r2121 from trunk.
 2013-02-15 19:47:42 +00:00
Ray Speth
6b569fcb22 [Matlab] Fixed error reporting when importing Kinetics from a file 2013-02-14 01:05:31 +00:00
Ray Speth
0b4af9ac0e [ck2cti] Fixed parsing duplicate reactions with explicit reverse rate constants 
Cherry-pick of r2066.
 2013-01-22 20:35:50 +00:00
Ray Speth
80f3c9d24d [1D] Fixed a case where the Newton solver could get stuck 
Sometimes, while trying to solve the steady-state problem, the Newton solver
would get stuck in a loop where it couldn't find a suitable damping ratio even
after re-revaluating the Jacobian, causing it to get stuck in an loop where it
would keep re-evaluating the Jacobian at the same point (i.e. without having
made a successful damped step).

This change detects this condition and stops the Newton solver so that the 1D
solver can advance the solution by timestepping before trying to solve the
steady-state problem again.
 2013-01-22 20:28:34 +00:00
Ray Speth
021f578ebd Removed unused variable 'm_efctr' from StFlow 2013-01-22 20:28:31 +00:00
Ray Speth
95e16a921e [1D] Added a minimum grid spacing parameter 
Cherry pick of something.
 2013-01-22 20:28:26 +00:00
Ray Speth
b6a362209a [1D] Fixed an uninitialized variable in Domain1D 
Cherry-pick of r1997
 2013-01-22 20:28:22 +00:00
Ray Speth
7e065242d8 [1D] Fixed an indexing error that affected Jacobian evaluations 
Not all components of the Jacobian were being computed for the first point in
the first flow Domain. Cherry pick of r2018.
 2013-01-22 20:28:18 +00:00
Ray Speth
9656f3aa07 [1D] Removed old, duplicate version of Surf1D 
ReactingSurf1D is the replacement. Cherry pick of r1680.
 2013-01-22 20:28:15 +00:00
Ray Speth
d3fc15b733 Fixed an error in the CTI guide 
Cherry picked from trunk r2015.
 2013-01-07 17:16:40 +00:00
Ray Speth
d75b394f63 [SCons] Fixed a bug when building without numpy 2013-01-03 19:08:42 +00:00
Ray Speth
544b638ebf [clib] Fixed an incorrect bounds check 
Resolves Issue 135.
 2013-01-02 18:09:50 +00:00
Ray Speth
5b423847f2 [1D] Fixed calculation of diffusion flux due to Soret effect 
Resolves Issue 132.
 2012-12-13 22:46:10 +00:00
Ray Speth
c4e62b72ed [1D] Resize StFlow::m_dthermal after grid refinement 
Resolves Issue 133.
 2012-12-13 22:46:05 +00:00
Ray Speth
180d5c4813 [SCons] Fixed generation of library list in cantera.pc 
Now includes cvode, sundials, ctlapack, etc. as necessary depending on the SCons
options specified.
 2012-12-12 19:16:02 +00:00
Ray Speth
53891d0b23 [SCons] Include libexecstream in pkg-config libraries 2012-12-07 15:02:55 +00:00
Ray Speth
54e4b17aa5 [Matlab] Corrected error messages generated by setState_SP 2012-11-30 22:50:47 +00:00
Ray Speth
5c086f77fe Bump version for 2.0.1 maintenance release 2012-11-18 02:14:22 +00:00
Ray Speth
ba7725fb5b Fixed a problem with the VCS equilibrium solver at constant HP or UP 
A sign error when limiting the temperature step caused the solver to fail if
the initial temperature was higher than sqrt(Tlow*Thigh).

Cherry-picked from trunk (r1883).
 2012-11-05 19:26:11 +00:00
Ray Speth
353fb38b11 Fixed correspondence of reactor type string names to integer constants 
Cherry-picked from trunk (r1869).
 2012-11-05 19:26:07 +00:00
Ray Speth
2e233d0542 Fixed handling of explicit reaction orders for some reactions 
For reactions with unity reactant stoichiometric coefficients, explicit values
for the forward reaction order were being ignored while setting up the
StoichManager.

Cherry-picked from trunk (r1802).
 2012-11-05 19:26:04 +00:00
Ray Speth
3116653f2f Fix to ignore duplicate third body efficiencies in ohn.cti 2012-11-05 19:25:58 +00:00
Ray Speth
71156434f8 Fixed handling of the SCons construction variable "FRAMEWORKS" 
This variable is only needed on OS X, but for simplicity, we expect it
to be defined (but empty) on other platforms.
 2012-10-30 15:30:33 +00:00
Ray Speth
86e7723c26 Fixed sign error in isothermalCompressibility of ideal phases 2012-10-30 15:30:27 +00:00
Ray Speth
1de94e0ee1 Fixed handling of falloff reactions with specific third bodies 2012-08-28 22:36:26 +00:00
Ray Speth
7ef2bb13e5 Fixed a mistake in the previous update to ck2cti.py 2012-08-15 16:05:45 +00:00
Ray Speth
b26f9f4ee2 Fixed handling of rate coefficient units in ck2cti.py 
Units specified on the REACTIONS line were not being handled correctly,
causing the units(...) directive of the resulting .cti file to always have
the default units of 'cal/mol' and 'mol', but without correcting the values.
 2012-08-15 15:14:08 +00:00
Ray Speth
16462628a7 Error message printed by Plog::validate now indicates the problematic reaction 2012-08-15 15:14:02 +00:00
Ray Speth
ead04df741 Updated docs to indicate that blas_lapack_libs is unnecessary on OS X 2012-08-12 23:00:14 +00:00
Ray Speth
c092bbaede Fixed the order of include and library directories when compiling 
Include directories in the Cantera source tree should be listed first so that
they take precedence over headers from other installed copies of Cantera that
might end up on the include search path. This was potentially a problem when
Cantera was installed in the same location (e.g. /usr/local) as one of its
dependencies (e.g. Sundials).

The same logic applies to directories on the library link path.
 2012-08-10 21:03:06 +00:00
Ray Speth
1c5f7c3ed7 [Python] Fixed an error when setting the mass flow rate of a FlowReactor 2012-08-02 16:01:53 +00:00
Ray Speth
67395c8438 Added validation of Plog rate expressions 2012-07-24 23:03:28 +00:00
Ray Speth
f27aac8599 Fixed a bug where coverage dependencies were not being handled properly 2012-07-23 22:34:18 +00:00
Ray Speth
9c89a8e0a2 On Unix-like systems, $python_prefix defaults to $prefix 2012-07-14 21:18:03 +00:00
Ray Speth
0a460a975f SCons now propagates the LD_LIBRARY_PATH environment variable by default 2012-07-14 21:18:00 +00:00
Ray Speth
7194bf96d4 Fixed calculation of some multicomponent transport properties 
For some properties, the internal temperature-dependent properties
were being updated in the wrong order.
 2012-07-10 16:23:32 +00:00
Ray Speth
b83a3b7e96 Fixed compilation of Fortran samples with user-specified compiler 2012-07-10 16:23:29 +00:00
Ray Speth
0e672ed92a Fixed generated SConstruct files to work with MSVC 2012-07-10 16:23:25 +00:00
Ray Speth
1bae2a373c Fixed Cantera.mak when using the 'single_library=y' config option 2012-07-10 16:23:21 +00:00
Ray Speth
063ee1525c Fixed library specifications in installed SConstruct scripts for samples 2012-07-10 16:23:17 +00:00
Ray Speth
58c202395c Bump version to 2.0.0 (final) 2012-07-10 16:23:12 +00:00
Ray Speth
18efeb1350 Maintenance branch for 2.0 release 2012-07-03 19:25:59 +00:00
Ray Speth
d3c93c5339 Added INSTALL with basic instructions for building with SCons 2012-07-03 17:49:59 +00:00
Ray Speth
f04ac23be9 Fixed a memory leak when re-initializing a CVodesIntegrator 2012-06-27 16:12:45 +00:00