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1133 commits

Author SHA1 Message Date
Bryan W. Weber
99d4972e6b Disable fmtlib fmt macro that shadows existing Group::fmt function 2018-05-30 14:16:27 -04:00
Ray Speth
07eed363fe Use std::sort to eliminate need for vcs_optMax 2018-05-19 22:04:57 -04:00
Nick
cc93ce62ca Add cython func defn to expose species viscosity & test equivalence to single-species species viscosity 2018-04-24 21:54:36 -04:00
Ray Speth
5b4a977df7 [Equil] Improve control of logging in ChemEquil solver 
Use the 'loglevel' argument to the 'equilibrate' function to set the logging
level of the ChemEquil (element potential) solver, instead of relying on the
undocumented, static 'ChemEquil_print_lvl' variable which can only be set from
the C++ interface.
 2018-04-14 16:16:51 -04:00
Bryan W. Weber
a03afbd56e
[1D] Throw an exception if transport state is inconsistent 
The user can enable Soret (thermal) diffusion or multicomponent
transport in either order, but attempts to solve flame problems with
Soret enabled and the mixture-averaged transport approximation will
result in an error
 2018-03-13 10:11:52 -04:00
Ray Speth
6d22be2a6b Mark unused/untested classes as deprecated 
Deprecated thermo classes: Adsorbate, MetalSHEelectrons, MineralEQ3,
MolarityIonicVPSSTP, PhaseCombo_Interaction

Deprecated kinetics classes: AqueousKinetics

Deprecated transport classes: LTPSpecies, LiquidTranInteraction,
LiquidTransport, LiquidTransportData, LiquidTransportParams, SimpleTransport,
SolidTransport, SolidTransportData, Tortuosity

See #267
 2018-02-15 23:50:11 -05:00
Ray Speth
9c50f7528c Add support for Sundials 3.1.0 (also 3.0.0) 2018-02-14 22:22:42 -05:00
Ray Speth
50a3fecb23 Rename Sundials-related macros to avoid name conflicts 2018-02-14 22:22:42 -05:00
Ray Speth
831b92dac4 [Doc/Kinetics] Clarify values returned by getFwdRateConstants 2018-01-06 21:27:42 -05:00
Ray Speth
ebc478f8ec [Thermo] Show values in setDensity / setTemperature exceptions 2018-01-06 21:27:42 -05:00
Ray Speth
2ac8a0ef08 [Thermo] Use min/max temperatures from equation of state 
The values in the liquidvapor.cti should be ignored, since this thermo data is
not actually applicable -- it is just used to set the reference state.
 2017-12-02 19:19:51 -05:00
Bryan W. Weber
16fd18315c Remove HAS_NO_PYTHON configuration variable 
This variable is not needed since in the two places its used we do a
runtime check of the presence of the Python interface anyways
 2017-11-26 16:48:40 -05:00
Evan McCorkle
87a7deb35d Added macro to conditionally exclude boost from API. 2017-10-25 09:30:22 -04:00
Evan McCorkle
686250e51f Partial pimpl for AnyValue to hide boost on API. 
- boost now only included in AnyMap.inl.h (within include/cantera)
 2017-10-25 09:30:22 -04:00
Evan McCorkle
f8d183220c Move AnyValue template definitions to inl file 2017-10-25 09:30:22 -04:00
Evan McCorkle
713b9cc23c Wrapped common uses of boost string algorithms. 
- Limits propagation of boost header and namespace.
 2017-10-25 09:30:22 -04:00
Ray Speth
405750f61d Fix compilation errors due to implicit dependence on <functional> 
Some recent versions of libstdc++ require this header for the declaration of
std::function
 2017-10-05 22:58:19 -04:00
Ray Speth
21c2215117 [Equil] Eliminate switching between dimensional / nondimensional in VCS 
The solver always works in nondimensional units
 2017-10-05 22:58:19 -04:00
Ray Speth
3820ca3147 [Equil] Eliminate "total moles" scaling in VCS solver 2017-10-05 22:58:19 -04:00
Ray Speth
1b97c49d8d [Thermo] Make species size local to SurfPhase 2017-10-05 22:58:19 -04:00
bangshiuh
a99004d8ef add docstring and fix evalResidual 2017-09-22 18:47:18 -04:00
bangshiuh
2472e080c3 [1D] split updateProperties and add evalResidual 2017-09-22 18:47:18 -04:00
bangshiuh
a8cbfd2c41 [1D] IonFlow add total number density func 2017-09-22 18:47:18 -04:00
bangshiuh
1be8374342 [1D] delete unnecessary constrain and improve the code structure 2017-09-22 18:47:18 -04:00
Ray Speth
739d4e4830 [Equil] Eliminate redundant variables from VCS_SOLVE 
Most of these were originally members of VCS_PROB
 2017-08-21 21:33:00 -04:00
Ray Speth
7eb939dc5f [Equil] Eliminate SpeciesThermo and VPhaseList from VCS_SOLVE 
This means that the VCS_SPECIES_THERMO and vcs_VolPhase classes no longer need
to be able to be copied.
 2017-08-21 21:31:45 -04:00
Ray Speth
4e53c893cf [Equil] More simplification of VCS_SOLVE initialization 2017-08-21 21:31:33 -04:00
Ray Speth
da3ba35945 [Equil] Eliminate some redundant variables in VCS_SOLVE 2017-08-21 21:29:33 -04:00
Ray Speth
bba0d8edf0 [Equil] Simplify initialization of VCS_SOLVE 2017-08-21 21:29:19 -04:00
Ray Speth
8522095dea [Equil] Refactor to eliminate class VCS_PROB 
Move data in the VCS_PROB class to VCS_SOLVE
 2017-08-21 21:29:19 -04:00
Ray Speth
da801f4cbc [Equil] remove unused VCS_SOLVE::reportCSV 2017-08-21 21:29:09 -04:00
Ray Speth
ee323bbafc [Equil] Clean up some debug logging code 2017-08-15 19:27:26 -04:00
Ray Speth
d9418bb8fb [1D] Make all 1D-related objects noncopyable 2017-08-15 18:42:53 -04:00
Ray Speth
279c5c8556 [Reactor] Make all reactor-related objects noncopyable 2017-08-15 18:42:53 -04:00
Ray Speth
7020fa72bf [Transport] Make SimpleTransport constructible without XML 2017-08-15 17:54:15 -04:00
Ray Speth
4b5af64050 [Transport] Allow construction of LTPSpecies without XML 2017-08-15 15:24:29 -04:00
Ray Speth
ea69a014a5 Add compatibility with fmt 4.0.0 2017-08-14 17:02:42 -04:00
Ray Speth
d035557531 [Thermo] Make adding undefined elements the default behavior 
(except when importing a phase from a CTI or XML input file)
 2017-08-13 23:59:49 -04:00
Ray Speth
a520f782db [Thermo] Make PDSS_SSVol contstructible wihout XML 2017-08-13 23:59:49 -04:00
Ray Speth
be8e51d217 [Thermo] Fix incorrect units in PDSS documentation 2017-08-13 23:59:49 -04:00
Ray Speth
a19b2bd4cc [Thermo] Fix apparent visibility of methods of PDSS_SSVol 
Public members of the base class are still public
 2017-08-13 23:59:49 -04:00
Ray Speth
ee663c9b37 [Thermo] Fix documentation for PDSS_SSVol polynomials 
The polynomials as implemented are cubic, not quadratic or fourth order
 2017-08-13 23:59:49 -04:00
Ray Speth
822cdc7d38 [Thermo] Always use PDSS_ConstVol for constant volume standard state 
Remove the redundant (and questionable) implementation of this from the
PDSS_SSVol class. Also fix some values in PDSS_SSVol that were not updated
except in the constant volume case.
 2017-08-13 23:59:49 -04:00
Ray Speth
4c630fc592 [Thermo] Make PDSS_HKFT constructible without XML 
Also fixes PDSS_HKFT to actually make use of the units specified for each input
constant.
 2017-08-13 23:59:49 -04:00
Bryan W. Weber
bce4210e1b [1D] Adds getRefineCriteria function 2017-08-09 18:46:47 -04:00
Ray Speth
572af616e7 [Thermo] Remove optional debug printing from HMWSoln 2017-08-07 21:47:10 -04:00
Ray Speth
3790115b99 [Thermo] Make HMWSolution constructible without XML 2017-08-07 21:32:15 -04:00
Ray Speth
4b69c7f265 [Thermo] Remove unused ionic radius from HMWSoln 2017-08-07 20:58:18 -04:00
Ray Speth
d07908f9c9 [Thermo] Clean up HMWSoln variables used in cutoff calculation 2017-08-07 20:58:18 -04:00
Ray Speth
6ca782030d [Thermo] Remove unused data from HMWSoln 
The model implemented does not use the weak acid / "electrolyte species type"
concept, so there is no reason to read data about this from the input file.
 2017-08-07 20:57:34 -04:00