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Author SHA1 Message Date
Ray Speth
6e3053dd1c Add function for setting default units from a std::map 
This is the form that will be used when reading units from a YAML
input file.
 2019-06-25 22:30:59 -04:00
Ray Speth
4c5040e829 [Input] Parse YAML entries for piecewise Gibbs (Mu0Poly) species thermo 2019-06-25 22:30:59 -04:00
Ray Speth
f0bb0d2262 Make AnyMap iterable 2019-06-25 22:30:59 -04:00
Ray Speth
86c73dad20 [Input] Parse YAML entries for constant cp species thermo 2019-06-25 22:30:59 -04:00
Ray Speth
74eec731f1 Add a version of UnitSystem.convert that handles default values 2019-06-25 22:30:59 -04:00
Ray Speth
7211f08891 [Input] Parse YAML entries for NASA 9-coefficient polynomials 2019-06-25 22:30:59 -04:00
Ray Speth
7ff6e8fac2 [Input] Parse YAML entries for Shomate polynomials 2019-06-25 22:30:59 -04:00
Ray Speth
2b41486850 [Input] Parse YAML entries for NASA 7-coefficient polynomials 2019-06-25 22:30:59 -04:00
Ray Speth
3eaa32dea3 [Thermo] Make SpeciesThermoInterpType objects default constructible 
Also provide setters for all all parameters which were set by the
constructor.
 2019-06-25 22:30:59 -04:00
Ray Speth
aef101fee7 [Input] Parse YAML entries for Chebyshev reactions 2019-06-25 22:30:59 -04:00
Ray Speth
7a97ff9917 Add optional length check when converting AnyValue to vector 2019-06-25 22:30:59 -04:00
Ray Speth
24d1e86440 Improve "missing key" error message for AnyMap 2019-06-25 22:30:59 -04:00
Ray Speth
b54ea8bd82 [Input] Parse YAML entries for Plog reactions 2019-06-25 22:30:59 -04:00
Ray Speth
d476ad8e59 Use Boost to demangle type names in AnyValue casting errors 2019-06-25 22:30:59 -04:00
Ray Speth
cb31c297cf [Input] Parse YAML entries for falloff and chemically activated reactions 2019-06-25 22:30:59 -04:00
Ray Speth
8b502d4065 [Input] Parse YAML entries for three body reactions 2019-06-25 22:30:59 -04:00
Ray Speth
0220e11ef9 Allow conversion from long int to double in AnyValue.asMap 2019-06-25 22:30:59 -04:00
Ray Speth
de80f06887 [Input] Parse YAML entries for elementary reactions 2019-06-25 22:30:59 -04:00
Ray Speth
224c46ebbb Add functions for converting units from AnyValue instances 2019-06-25 22:30:59 -04:00
Ray Speth
65121becac Add special handling of activation energies to class Units 2019-06-25 22:30:59 -04:00
Ray Speth
da097631e3 UnitSystem class supports default source units for conversions 2019-06-25 22:30:59 -04:00
Ray Speth
c9b7de3b70 Add support for metric prefixes to class Units 2019-06-25 22:30:59 -04:00
Ray Speth
b8cb2c30f8 Add 'Units' class for doing conversions with dimensionality checks 
Introduces a new, more natural notation for writing unit strings,
for use in YAML input files. Unlike 'toSI', conversions are checked for
dimensional consistency.
 2019-06-25 22:30:59 -04:00
Ray Speth
ea88d4f9fb Add "get" functions to AnyMap 
Simplify the common use case of checking for a key and using a default
value when it is missing.
 2019-06-25 22:30:59 -04:00
Ray Speth
530adbb931 Add automatic conversions to vector<AnyValue> 2019-06-25 22:30:59 -04:00
Ray Speth
e5bd0b136f Allow AnyValue to convert implicitly from long int to double 2019-06-25 22:30:59 -04:00
Ray Speth
00f6b88fa4 [Input] Implement construction of AnyMap from YAML string/file 2019-06-25 22:30:59 -04:00
Ray Speth
e85e0e2108 Fix constness of some AnyMap functions 2019-06-25 22:30:59 -04:00
Ray Speth
ed24198e63 Add option to compile yaml-cpp or use system library 2019-06-25 22:30:59 -04:00
Ray Speth
4bd1ca1cde Add yaml-cpp submodule 2019-06-25 22:30:59 -04:00
Ray Speth
56cb190a64 Fix units of site density in sofc.cti 2019-06-25 22:30:59 -04:00
Bryan W. Weber
444ef91e0f Build the samples on the CI services 
Requires libomp on macOS from homebrew. OpenMP with Visual C/C++ requires
the loop index to be a signed type (from OpenMP < 3.0).
 2019-06-17 10:29:20 -04:00
Bryan W. Weber
142f533229 Correct flag and libs for OpenMP on macOS 
Apple's clang on macOS requires the libomp to link. Apple symlinks gcc
to clang, so it can't be detected as clang by executable name
 2019-06-17 10:29:20 -04:00
Bryan W. Weber
3588be16f3 CMake use Accelerate even if OpenMP is also used 
For samples, make sure that OpenMP and Accelerate are not exclusive
options on macOS
 2019-06-17 10:29:20 -04:00
Bryan W. Weber
007ecf0c7c Include boost_inc_dir when building the samples 2019-06-17 10:29:20 -04:00
Bryan W. Weber
857bb0a769 Include Func1.h in zerodim.h 
zerodim.h used to have Func1.h included indirectly, so make it explicit.
 2019-06-17 10:29:20 -04:00
Bryan W. Weber
9a5c2708e5 Replace the compiler variables during conda build 
The build compilers should not be specified into the sample templates
 2019-06-13 14:36:54 -04:00
Bryan W. Weber
265032da8f Remove build-system specific env vars on macOS 
The isysroot and mmacosx-min-version flags are needed to build the
Cantera library, but not to actually use it on macOS. They should be
removed because users don't need these and should use the SDK installed
with XCode.
 2019-06-13 14:36:54 -04:00
Steven DeCaluwe
ba8ac1d519 Mark ConstDensityThermo for deprecation. 
The thermophase ConstDensityThermo instantiates a class with
constant density_mass  Such a model is of dubious physical
validity/applicability and has minimal foreseeable use cases.
This commit marks it for deprecation, and adds a message in
ctml_writer.py (where the model has the misleading alias
'incompressible_solid') refering the interested user to consider
appropriate alternate thermophase classes 'lattice' or
'IdealSolidSoln.'
 2019-06-12 17:54:48 -04:00
Steven DeCaluwe
fb3dee36c5 Removing references to incompressible_solid in sofc.cti 
Removes references to incompressible_solid phase in the codebase.
This phase type references ConstDensityThermo phase, which is a
non-physical model and is to be deprecated, with Cantera 2.5. In
order to enable deprecation, the following changes are hereby made:

- Changes oxide_bulk phase type from incompressible_solid to lattice in sofc.cti
- Changes test_convert.py so that it interrogates the density_mole of the bulk_oxide, rather than density_mass
 2019-06-12 17:54:48 -04:00
Steven DeCaluwe
813d5064ae Enabling Lattice thermo phase via cti interface. 2019-06-12 17:54:48 -04:00
Steven DeCaluwe
0ed2b38594 Adding faradayconstant.m to Matlab toolbox 2019-06-08 17:33:30 -04:00
Thanasis Mattas
6a42e5942e rearranging methods to aid src reading 2019-06-08 17:25:55 -04:00
Thanasis Mattas
ea3bb0af90 Some documentation corrections at xml.h 2019-06-08 17:25:55 -04:00
Ingmar Schoegl
5d62f3bacc added factories for FlowDevice and Wall objects 2019-05-28 19:21:28 -04:00
Ingmar Schoegl
751afa3c2b addresses issue #615 2019-05-09 22:21:35 -04:00
CyberDrudge
fbe4ce5c1b Remove Unnecessary comments 2019-05-09 12:22:44 -04:00
Ingmar Schoegl
f078f53f39 Enable additional states / equations in onedim 2019-04-17 00:06:26 -04:00
Nick
848a3bf0e3 Add InterfaceKinetics.advance_coverages integrator options to the cython interface, and test 2019-04-10 22:14:27 -04:00
Nick
d2cb02f254 add integrator parameters to the InterfaceKinetics::advanceCoverages & ImplicitSurfChem constructor to allow users to modfiy 2019-04-10 22:14:27 -04:00