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1014 commits

Author SHA1 Message Date
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
Bryan W. Weber
6690b964be Fix rcond unintialized warning 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
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
2db7ebc55c [clib] Update declaration for stflow_setTransport 2016-10-24 19:00:36 -04:00
BangShiuh
859eb6b94a [1D] Deprecate 'withSoret' argument of setTransport 2016-10-24 18:57:05 -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
f6df8f31b3 [TPX] Move function implementations out of Sub.h 2016-10-19 17:40:50 -04:00
Ray Speth
478a62d2af [Thermo] Make tolerances used in state setters more consistent 2016-10-19 12:55:18 -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
Ray Speth
8a9eabeeac [clib] Add buffer length argument to all functions returning strings 
If the buffer is not long enough, the string is truncated and the return value
is the required buffer length. Otherwise, the return value is 0.
 2016-10-18 11:21:42 -04:00
Ray Speth
5f0e20bf93 [clib] Rename some functions to increase consistency 2016-10-17 19:15:38 -04:00
Ray Speth
100d6db87b [clib] Combine "phase_" and "th_" prefixes as "thermo_" 2016-10-17 19:15:38 -04:00
Ray Speth
bdda7b5eaf [clib] Remove some redundant/unusable/unnecessary functions 2016-10-17 19:15:36 -04:00
Ray Speth
fd3f2c72fb [clib] Remove ctbdry.h which declared only undefined functions 2016-10-15 20:50:15 -04:00
Ray Speth
b51c1b8e4e [clib] Fix const-ness of clib function arguments 2016-10-15 20:50:15 -04:00
Ray Speth
40630a3ab4 Fix const-ness of some function arguments 2016-10-15 20:50:15 -04:00
g3bk47
83989824ea [1D] made Domain1D::grid(size_t) a const member function 2016-10-15 18:24:35 -04:00
g3bk47
e83b095c3a [Kinetics] added const version of Kinetics::reaction 2016-10-15 18:24:35 -04:00
Ray Speth
5af1dfd29c Add notices to documentation for classes with no tests or examples 
See #267
 2016-10-13 18:40:03 -04:00
Ray Speth
e6bf450620 [Kinetics] Simplify logic in C_AnyN::multiply 2016-10-13 18:40:03 -04:00
Ray Speth
6ca9dc2cc3 [Kinetics] Remove unused m_finalized member variable 2016-10-13 18:40:03 -04:00
Ray Speth
0b5e209b40 [Kinetics] Remove unused private members of class Kinetics 2016-10-13 18:40:03 -04:00
Ray Speth
deee889baf [clib] Make clib headers public 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
9c368d57b3 [Cython] translate_exception should raise RuntimeError 
This is more consistent with the behavior of Cython for other exception types,
where unknown types of std::exception are translated to Python RuntimeError
exceptions.
 2016-10-09 17:58:44 -04:00
Ray Speth
85e2e9968b [Thermo] Deprecate RedlichKisterVPSSTP::Vint 2016-09-08 17:21:20 -04:00
Ray Speth
340c1bf60a Remove some unused variables 2016-09-08 17:21:20 -04:00
Bryan W. Weber
c344b4c0f8
Add methods Reactor::setChemistry and chemistryEnabled 
These functions mirror the setEnergy and energyEnabled methods.
The enableChemistry and disableChemistry methods are deprecated.
 2016-08-12 10:54:58 -04:00
Ray Speth
4582e724ee Eliminate compiler warnings issued by Visual Studio 2015 2016-07-30 23:09:17 -04:00
Ray Speth
ac7a9bd238 Deprecate copy constructors for eventually-noncopyable objects 
The following classes (and their children) will be non-copyable and
non-assignable after Cantera 2.3:
  - ThermoPhase
  - Kinetics
  - Transport
  - Species
  - SpeciesThermoInterpType
  - MultiSpeciesThermo
  - VPSSMgr
  - PDSS
  - ResidJacEval
  - RootFind
 2016-07-29 18:57:29 -04:00
Ray Speth
64983aaf16 Remove some unnecessary copy constructors and assignment operators 
The implicitly-defined copy constructors and assignment operators work fine for
these classes.
 2016-07-29 18:39:45 -04:00
Ray Speth
f733fac104 [Kinetics] Deprecate InterfaceKinetics::checkPartialEquil 2016-07-28 22:38:05 -04:00
Ray Speth
a8bf1aa628 [Kinetics] Remove unused members of InterfaceKinetics 2016-07-28 22:38:05 -04:00
Ray Speth
1e5eb8c871 [Kinetics] Add option for Motz & Wise correction to sticking reactions 2016-07-28 18:38:40 -04:00
Ray Speth
593ab8a573 [Kinetics] Refactor handling of sticking reactions 2016-07-28 11:52:46 -04:00
Ray Speth
9a309ee410 [Equil] Deprecate some unused VCS-related functions 2016-07-22 13:51:29 -04:00
Ray Speth
ba3a0ee3e9 [Equil] Deprecate broken version of VCS phase stability check feature 
Resolves #331.
 2016-07-22 13:51:16 -04:00
Ray Speth
0d7cc10f99 [Doc] Fix some Doxygen warnings 2016-07-07 23:37:03 -04:00