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Author SHA1 Message Date
Bryan W. Weber
ea4b3502c3 [Cython/Test] Install extra data files from main data directory 2016-11-10 15:16:10 -05:00
Ray Speth
361ca83891 [CI] Upgrade pip when building on AppVeyor 
Warning messages from older pip versions cause AppVeyor to think that the build
has failed and abort.
 2016-11-05 16:24:33 -04:00
Ray Speth
deeb6198a0 [Test] Add test of clib 2016-11-04 19:15:07 -04:00
Ray Speth
fb9a4b1d61 Deprecate RootFind 2016-11-04 11:36:13 -04:00
Ray Speth
da87260062 [Thermo] Replace RootFind with Boost in RedlichKwongMFTP 
As previously implemented, calling densSpinodalLiquid or densSpinodalGas would
crash since the pointer fdpdv_ was uninitialized, and furthermore could not even
be initialized with an instance of the spinodalFunc class because this class was
abstract.

Also fix densSpinodalLiquid and densSpinodalGas to actually calculate the roots
of the equation of state which are used as bounds for the search interval.
 2016-11-04 11:36:13 -04:00
Ray Speth
145335880f [SCons] Move PCH-related files out of include to avoid installing them 2016-11-04 11:36:13 -04:00
Ray Speth
baa0a24905 [SCons] Fix permissions error when installing to stage directory 2016-11-02 21:37:42 -04:00
Ray Speth
19c71f5397 Update libfmt submodule to version 3.0.1 
Fixes compilation problems on Cygwin
 2016-11-02 19:40:28 -04:00
Ray Speth
334b154eef [SCons] Prevent full rebuild after change to precompiled header 2016-11-02 18:36:50 -04:00
Ray Speth
b7e4902035 [Doc] Describe boundary conditions for 1D flames 2016-11-02 18:36:50 -04:00
Ray Speth
530d503848 [Doc] Describe governing equations for 1D flames 2016-11-02 18:36:50 -04:00
Ray Speth
a01032cd2d Resolve some compiler warnings 2016-11-02 18:36:50 -04:00
Bryan W. Weber
d59cae1e3c Add config.h.build to gitignore 2016-10-31 17:14:26 -04:00
Bryan W. Weber
7ef43421b4 Fix typo in application.h 2016-10-31 17:14:26 -04:00
Bryan W. Weber
6690b964be Fix rcond unintialized warning 2016-10-31 17:14:26 -04:00
Bryan W. Weber
174db13165 Fix typo in docs for findInputFile 2016-10-31 17:14:26 -04:00
Bryan W. Weber
1cdc6b6d7e Add C-Lib and Matlab interface to getDataDirectories 2016-10-31 17:14:26 -04:00
Bryan W. Weber
d1c2ec48e7 Add function to get the data directories Cantera searches 2016-10-31 17:14:26 -04:00
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
Ray Speth
f959fa67c9 [Samples/Doc] Generate CMakeLists.txt files for C++ and F90 samples 2016-10-28 23:39:33 -04:00
Ray Speth
af076bad0b [Samples] Replace printf with writelog 2016-10-28 19:05:24 -04:00
Ray Speth
388dbafb39 Deprecate wrapString 2016-10-28 18:38:23 -04:00
Ray Speth
7a24dc3817 Replace lowercase with boost string algorithms 2016-10-28 18:20:11 -04:00
Ray Speth
2a8ac43308 [SCons] Add fmt.h to system.h and improve PCH dependency handling 2016-10-28 12:40:53 -04:00
Ray Speth
e3dfc35ca1 [SCons] Use precompiled header to speed up compilation with MSVC 
Update Appveyor config to turn off debug info so PCH can be used
 2016-10-28 12:05:46 -04:00
Ray Speth
cbcce07981 [SCons] Use precompiled header to speed up compilation with GCC/Clang 2016-10-27 19:59:35 -04:00
Ray Speth
b25784dc09 Replace stripws with boost::algorithm::trim_copy 2016-10-27 11:28:03 -04:00
Ray Speth
367bdba551 Use boost::algorithm::split to implement tokenizeString 2016-10-27 11:28:03 -04:00
Ray Speth
2db7ebc55c [clib] Update declaration for stflow_setTransport 2016-10-24 19:00:36 -04:00
Ray Speth
cd65b01b06 [Doc] Fix indentation 2016-10-24 18:58:33 -04:00
Ray Speth
510f06497c [Reactor/Doc] Describe governing equations for surface species 2016-10-24 18:58:33 -04:00
BangShiuh
859eb6b94a [1D] Deprecate 'withSoret' argument of setTransport 2016-10-24 18:57:05 -04:00
Ray Speth
c770edf6b8 Update CI configurations to handle Boost dependency 2016-10-24 08:10:37 -04:00
Ray Speth
ecb2868a18 [Reactor] Suppress recoverable errors in RHS function by default 
Accumulate errors and show them if the integrator actually fails. In "verbose"
mode, the errors are shown as they occur.
 2016-10-23 22:42:53 -04:00
Ray Speth
7724c841a1 Handle _cantera.h header file produced by newer versions of Cython 2016-10-23 17:19:11 -04:00
Ray Speth
95764fdf6e [Reactor] Add tests for reactors using pure fluid phases 2016-10-23 17:17:28 -04:00
Ray Speth
4b57ee3d4c [SCons/Doc] Formalize dependency on Boost 2016-10-22 19:03:20 -04:00
Ray Speth
1dc0cedcd9 [Reactor] Use Boost's bracket_and_solve_root function 
This algorithm is more robust than the simple Newton's method that it
replaces. Among its advantages is that it works with PureFluidPhase models.

Resolves #257
 2016-10-22 16:17:57 -04:00
Ray Speth
28202f9fa2 [Reactor] Allow Reactor to function without requiring a Kinetics object 2016-10-22 15:50:01 -04:00
BangShiuh
04f9596cc5 [Transport] replace sumxw with mmw in GasTransport::getMixDiffCoeffs 
The sumxw is redundant, so I replace it with mmw.
 2016-10-21 23:17:11 -04:00
Ray Speth
3f3b96587b [Thermo] Fix finite-difference properties in two-phase region 
These properties are actually infinite in the two-phase region, but attempting
to compute them by finite difference would incorrectly give a finite result, so
they need to be treated as a special case.
 2016-10-21 13:28:51 -04:00
Ray Speth
a92245f683 [Thermo] Fix calculation of derivative properties of pure fluids 
Calculating specific heat capacities (cp or cv) for states near the saturation
curve would give incorrect results if the finite difference method used points
within the saturation region. To avoid this, we now check the points used for
computing the properties and use values outside the saturation region to compute
the derivatives.

Fixes #273
 2016-10-21 13:28:51 -04:00
Ray Speth
b1a1ce6e23 [Thermo] Fix pure fluid thermal expansion coefficient calculation 2016-10-19 19:51:31 -04:00
Ray Speth
f6df8f31b3 [TPX] Move function implementations out of Sub.h 2016-10-19 17:40:50 -04:00
BangShiuh
6d5e28ec46 [1D] Use c_offset_Y instead of literal value "4" 2016-10-19 17:40:04 -04:00
Ray Speth
478a62d2af [Thermo] Make tolerances used in state setters more consistent 2016-10-19 12:55:18 -04:00
Ray Speth
5b1a4a60bb [Thermo] Fix silent failures in HP/UV/SV/SP convergence 
In cases where the specified state was non-physical (i.e. corresponded to a
negative temperature), the iteration would exit when the temperature reached a
small enough value. Computing the error in temperature relative to the current
temperature avoids this problem.

Fixes #264
 2016-10-19 10:58:22 -04:00
Ray Speth
89d0c5601f [Python] Add CanteraError class for execptions 
Anything that raises a CanteraError in C++ will now raise CanteraError in
Python, instead of the more generic RuntimeError.

This change increases the required Cython version to 0.23 or newer.
 2016-10-18 22:58:14 -04:00