GreenPolyProducts/cantera
5
0
Fork 0
mirror of https://github.com/Cantera/cantera.git synced 2025-02-25 18:55:29 -06:00
Code Issues Packages Projects Releases Wiki Activity
11,721 Commits 12 Branches 43 Tags
main
Commit Graph

158 Commits

Author SHA1 Message Date
pjsingal
6cf00e2af1 [Kinetics] Added LMRR cantera examples 2024-10-23 09:02:49 -04:00
Ray Speth
9a33c9532a [Examples] Move input for coverage dependent surface to submodule 2024-04-11 08:57:01 -04:00
Ray Speth
3da2d27b22 [Examples] Move input files for PorousMediaBurner.py to submodule 2024-04-11 08:57:01 -04:00
Ray Speth
9ec376ec06 Move Itikawa example mechanism to data repo 2024-04-11 08:57:01 -04:00
Ray Speth
9bbd0fac3d [SCons] Install example input files from git submodule 2024-04-11 08:57:01 -04:00
Bang-Shiuh Chen
192fd64cf3 [sample, data] add plasma.py and oxygen-plasma-itikawa.yaml 2024-03-28 10:55:04 -04:00
Ingmar Schoegl
41d7ca6c43 [MATLAB-legacy] Remove references to MATLAB 2024-03-28 09:27:10 -04:00
Ray Speth
806842dacc Bump version to 3.0.0 
Update link to new DOI on Zenodo

Remove alpha/beta tags from YAML input files so they correspond to this
release version.
 2023-08-22 17:34:46 -04:00
Gandhali Kogekar
5876366448 Updating the description for R-K parameters 2023-06-22 17:18:47 -04:00
Gandhali Kogekar
76d5beee92 Adding a python test for non-ideal flame model 2023-06-22 17:18:47 -04:00
Ray Speth
e0ce1335a9 Fix files incorrectly marked as "executable" 2023-06-21 09:09:15 -04:00
Ray Speth
b40cc1c043 Add description and reference for Si3N4 deposition mechanism 2023-06-14 10:58:05 -06:00
Nick Curtis
568cf48233 Implement Steady-State, Adiabatic, Cylindrical (by default) Plug-Flow Reactor & Add python example 2023-06-14 10:58:05 -06:00
Anthony Walker
03d1ecd13c This commit fixes types, updates tests, and composition dependence 
`test_net_rop_ddCi` was updated to use and account for reaction orders
appropriately. Many updates to docstrings and comments. Typo fixes.
usesCoverageDependence was also implemented in a more generic manner
so it can be extended to other reaction types.
 2023-04-10 21:01:41 -04:00
Anthony Walker
cfee65f854 This commit adds some simple reactor jacobian tests and fixes bugs 
The indexing has been fixed and works with multiple surfaces correctly avoiding
non-interacting phases. Tests were added to compare simple surface jacobians, gas
phase jacobians, and single reactions. Removed surface contribution to energy
equation terms as these contributions are not currently included in the system
of equations and caus spurious entries.
 2023-04-10 21:01:41 -04:00
ThorstenZirwes
c185d9afe4 Fix typos in data/YZA.yaml 
Co-authored-by: Ray Speth <yarmond@gmail.com>
 2023-03-20 18:30:40 -05:00
g3bk47
f78717fe2e Add example for porous media burner with extensible reactors 
Co-authored-by: Guillaume Vignat <gvignat@stanford.edu>
 2023-03-20 18:30:40 -05:00
Jongyoon Bae
a2d6a92374 Add header on data/covdepsurf.yaml 2023-03-18 17:25:00 -04:00
Jongyoon Bae
79dbf00b75 Add ThermoYamlRoundtrip test and python example 2023-03-18 17:25:00 -04:00
Ingmar Schoegl
c98fec22e8 [Input] Remove deprecated silane.yaml 2022-05-28 15:56:03 -04:00
Ray Speth
3947980eb2 [Input] Remove obsolete CTI/XML input files 
The remaining CTI and XML input files in test/data are used to test
the cti2yaml and ctml2yaml conversion scripts.
 2022-05-25 04:02:58 -04:00
Ray Speth
a37054cc7f [Doc] Eliminate CTI/XML-related documentation 2022-05-25 04:02:58 -04:00
Ray Speth
98b0383c74 Remove XML/CTI format from Python interface 2022-05-25 04:02:58 -04:00
Ray Speth
9573e6b1e1 Bump version to 2.6.0 
Update link to new DOI on Zenodo

Remove alpha/beta tags from YAML input files so they correspond to this
release version.
 2022-05-01 11:31:54 -04:00
Ray Speth
0a7b436683 [Doc] Eliminate 'i.e.' and 'e.g.' 2022-04-30 03:55:11 -04:00
Ray Speth
2b111e6744 [data] Add condensed species data for missing T ranges 
A few condensed-phase species from the NASA dataset had two sets of
coefficients with the same species "name" for adjacent temperature
ranges. These apparent duplicates were removed by ck2yaml.

This update combines the data from these pairs of entries for these
species.
 2022-04-25 13:11:57 -04:00
Ray Speth
af3ed8817f [data] Add reference information from McBride report 2022-04-24 12:48:37 -05:00
Ray Speth
984123aa9a [data] Fix temperature ranges in nasa_condensed.yaml 2022-04-24 12:48:37 -05:00
Ingmar Schoegl
dfbbf8f13b [Samples] Move sample input file to sample/data folder 
LiC6_electrodebulk.yaml was the only file in data/sample-data. Moving this file
to samples/data mimics the input file location for the jupyter repository.
 2022-03-03 09:07:17 -05:00
Ray Speth
8c3a1b59b3 Fix acentric factor for O2 and N2 
The old values appear to have been copy-paste errors propagated from
critProperties.xml.
 2022-02-08 15:23:48 -05:00
Ray Speth
1a4c0562a6 [Python] Use new adjacent phase handling in examples 2022-01-18 18:06:02 -06:00
Ray Speth
3e06828843 [Solution] Handle multiple levels of adjacent phases 2022-01-18 18:06:02 -06:00
Ray Speth
7785d6cf0e Add Interface class as a specialized version of Solution 
This class provides access to the thermo and kinetics objects as the
correct derived types, i.e. SurfPhase and InterfaceKinetics, so
methods defined only for these derived types can be called easily.
 2022-01-18 18:06:02 -06:00
Ray Speth
35739ee5e7 Fix syntax error in silane.yaml deprecation 2022-01-18 18:06:02 -06:00
Ray Speth
ed10db5643 [Input] Read element standard entropies from YAML database 2022-01-05 17:36:04 -05:00
Ray Speth
2f2f5877bb [Data] Deprecate silane.yaml 
This file is of unknown provenance, contains discontinuous thermo
data, and is no longer used in any examples or tests.
 2021-12-04 22:24:52 -06:00
Ray Speth
e3b4c184b0 [Thermo] Convert critical properties database to YAML 2021-11-23 11:36:22 -06:00
Ray Speth
2d211dbca1 Fix miscellaneous spelling errors 2021-11-19 21:44:53 -06:00
Gandhali Kogekar
cff20f3690 Some formatting changes, also added a reference for the acentric factor 
value for CO2 in 'critProperties.xml' file.
 2021-07-20 21:59:12 -04:00
decaluwe
d61bc3bcf2 Testing critical property lookup for PengRobinson. 
Deletes CO2 interaction parameters from co2_PR_example.yaml, such that
phase construction in PengRobinson_Test.cpp covers the cirtical property
lookup capabilities in PengRobinson::getCoeff. Note that this required
changing some of the regression test expected values, as the critical
properties don't correspond perfectly with the interaction parameters
previously stored in co2_PR_exmple.yaml.
 2021-07-20 21:59:12 -04:00
12Chao
448c281c3c reduce the test input files and modify the tests to keep them working 2021-04-20 13:15:15 -06:00
12Chao
5513452d6b [Test/Cython] The unit tests for Blowers Masel interface 
reaction and reaction rates classes

The tests are added in both C++ and Python interfaces. Two
minimal yaml files are included for the tests.
 2021-04-20 13:15:15 -06:00
Raymond Speth
aae64d9b7b [Input] Remove deprecated input files and phase definitions 2021-02-16 14:00:57 -05:00
Raymond Speth
6ce695d96d Bump version to 2.5.0 
Update 'cantera-version' in all YAML files to correspond to the stable
release.
 2021-02-08 13:28:55 -05:00
Raymond Speth
94f641583f [Input] Add transitional ohmech-multi phase to h2o2.yaml 
Matches the definition in h2o2.cti. Like what we are doing with the
gri30.cti -> gri30.yaml transition, this phase name is immediately
deprecated.
 2021-02-08 13:28:55 -05:00
Raymond Speth
81aa2c2938 Deprecate nasa.yaml 
Prefer the more specific files nasa_gas.yaml and nasa_condensed.yaml
 2021-01-29 21:35:40 -05:00
Ingmar Schoegl
ac1274fa0a [thermo] Finalize liquid-water-IAPWS95 updates 2021-01-29 13:39:28 -05:00
Ingmar Schoegl
4ba894df55 [thermo] Add IAPWS as alternative backend to existing Water wrapper 
While the current 'liquid-water-IAPWS95' thermo model only implements liquid
(and supercritical) states, the underlying IAPWS formulation can be extended
beyond in future revisions.

- avoid 'liquid' as part of the nomenclature
- YAML phase name is updated to `water-iapws95`
- Instead of creating a new wrapper, `iapws95` is added as an alternative
  backend to the existing `Water` class
 2021-01-29 13:39:28 -05:00
Ingmar Schoegl
ec5d0f5932 [thermo] Update docstrings for PureFluid convenience wrapper classes 
- Docstrings are updated to include information already available
  in MATLAB (or C++ base classes)
 2021-01-29 13:39:28 -05:00
Ingmar Schoegl
2c5eae019b [thermo] Add convenience class for liquid-water-IAPWS95 2021-01-29 13:39:28 -05:00