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
Ray Speth
403bb21615
Add GitHub-parsed citation information
2023-08-22 17:34:46 -04:00
Ray Speth
217f35b0ed
[Thermo] Fix segfault in deprecated newPhase factory function
...
The shared_ptr goes out of scope at the end of the function,
deleting the held ThermoPhase right as it's returned.
Erroneous behavior introduced in f3e840dcbe#1448 ).
2023-08-22 14:35:59 -06:00
Ray Speth
8e2ab16acb
[SCons] Clean up generated build scripts for clib demo
2023-08-21 17:27:32 -06:00
Ray Speth
8360ad95e7
[SCons] Remove duplicated flags from cantera.pc
2023-08-21 17:27:32 -06:00
Ray Speth
2820749d0f
[SCons] Fix cleanup of -isysroot flags in package builds
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Also filter out paths referring to conda build environment
2023-08-21 17:27:32 -06:00
Ray Speth
d564130fc5
[Input] Search active conda environment for YAML files
2023-08-21 17:27:32 -06:00
Ray Speth
54ede24657
[Samples] Check for missing input in clib demo
2023-08-21 17:27:32 -06:00
Ray Speth
2e5cd59741
[SCons] Always allow 'conda' layout when using 'package_build'
2023-08-21 17:27:32 -06:00
Ray Speth
08c1f84071
[SCons] Improve setting compiler in sample SConstruct files
...
For package builds, do not specify compiler. Otherwise, specify the
same compilers that were used to build Cantera.
In both cases, allow CC, CXX, etc. environment variables to override
the settings in SConstruct.
2023-08-21 17:27:32 -06:00
Ray Speth
c67d003c2f
[SCons] Workaround for SCons ignoring RPATH in sample SConstruct files
2023-08-21 17:27:32 -06:00
Ray Speth
cb02c5ccbb
Remove unnecessary 'friend' declarations
2023-08-21 17:27:32 -06:00
Ray Speth
20b46ccea3
Remove declaration for unimplemented correctBinDiffCoeffs method
2023-08-21 17:27:32 -06:00
Ray Speth
17ff66a494
Relax tolerance on test_phase_order_surf_jacobian
...
This test was failing by a slim margin on ppc64le Linux builds
2023-08-21 17:27:32 -06:00
Ray Speth
a26e2a5bca
[SCons] Fix OpenMP flags in generated CMakeLists.txt files
...
The two values need to be combined as a single string to prevent CMake
from interpreting them as a list and inserting a semicolon that results
in a broken compiler command that looks like this:
g++ -I/some/path;-fopenmp source_file.cpp ...
2023-08-21 17:27:32 -06:00
Ingmar Schoegl
9692e4ebf7
[CI] Ensure 1D lambda is constant
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Also, add contributor
2023-08-21 17:45:47 -04:00
yeanment
ec48ebc53a
Fix issue #1593 in evaluating of lambda at boundary point.
2023-08-21 13:35:29 -06:00
Ray Speth
cde1e79567
[Doc] Move Phase and ThermoPhase into base 'thermoprops' group
2023-08-16 17:10:18 -05:00
Ray Speth
62aefaafe2
[Doc] Make transport properties a top-level group
2023-08-16 17:10:18 -05:00
Ray Speth
181407d5e5
Adjust ordering of Doxygen pages
...
Move auxiliary pages towards the bottom, and emphasize class documentation
over the "namespace" documentation
2023-08-16 17:10:18 -05:00
Ray Speth
5ee83edca8
Expand trees in Doxygen by default
2023-08-16 17:10:18 -05:00
Ray Speth
c7eabf4a73
Fix Contributor Covenant link
2023-08-16 17:10:18 -05:00
Ray Speth
cac5517c70
[Doc] Remove references to obsolete member of VPStandardStateTP
2023-08-16 17:10:18 -05:00
Ray Speth
7cdba62dac
[Doc] Add BibTeX entries for more references
2023-08-16 17:10:18 -05:00
Ray Speth
cde370354b
[Doc] Use 'warning' admonition in Sphinx docs
...
This results in formatting similar to other admonitions like 'deprecated'
when using the PyData Sphinx theme.
2023-08-16 17:10:18 -05:00
Ray Speth
43fca53547
[Test] Fix unused variable warning
2023-08-15 14:21:04 -04:00
Ray Speth
4a4bc87f0e
[CI] Check for proper use of 'override'
2023-08-15 14:21:04 -04:00
Ray Speth
b35ef5907c
Use override in C++ samples and tests
2023-08-15 14:21:04 -04:00
Ray Speth
fc2185369d
Use override on various utility classes
2023-08-15 14:21:04 -04:00
Ray Speth
cef19a9130
Use override on 1D classes
2023-08-15 14:21:04 -04:00
Ray Speth
a4be49218b
Use override on ZeroD classes
2023-08-15 14:21:04 -04:00
Ray Speth
2531018553
Use override on transport classes
2023-08-15 14:21:04 -04:00
Ray Speth
583cd44326
Use override on remaining Kinetics classes
2023-08-15 14:21:04 -04:00
Ray Speth
dbeb32b52b
Use override on ReactionRate and ReactionDate classes
2023-08-15 14:21:04 -04:00
Ray Speth
15ba2d8e5e
Use override on tpx::Substance classes
2023-08-15 14:21:04 -04:00
Ray Speth
1492c8f535
Use override on SpeciesThermoInterpType and PDSS derived classes
2023-08-15 14:21:04 -04:00
Ray Speth
8ec508ad57
Use override on ThermoPhase classes
2023-08-15 14:21:04 -04:00
Ray Speth
9a549f8602
[Thermo] Triage incorrect method overrides in LatticeSolidPhase
...
See #1310
2023-08-15 14:21:04 -04:00
Ray Speth
e03558ab2a
Define conservative limits for LatticeSolidPhase minTemp/maxTemp
2023-08-15 14:21:04 -04:00
Ingmar Schoegl
717af98109
[unittests] Add unit test for thirdbody edge cases
2023-08-14 22:09:39 -05:00
Ingmar Schoegl
f802d10c35
[Python] Add Reaction.third_body_name convenience method
2023-08-14 22:09:39 -05:00
Ingmar Schoegl
09ee7dce7e
[Kinetics] Fix implicit ThirdBody edge cases
2023-08-14 22:09:39 -05:00
Ingmar Schoegl
900169b375
[Python] Deprecate reactant/product setters
2023-08-14 22:09:39 -05:00
Ingmar Schoegl
b45151cf90
[Python] Fix function signatures
2023-08-14 22:09:39 -05:00
Ingmar Schoegl
0d0fd86d2d
[Kinetics] Prevent segfault for third body edge case
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Fix typo - logic used wrong method name
2023-08-14 22:09:39 -05:00
Ingmar Schoegl
693beb6de8
[kinetics] Track undeclared third body usage
2023-08-14 22:09:39 -05:00
Ingmar Schoegl
e00c23ffc3
[docs] Clarify coverage-dependent surface species docs
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Co-authored-by: Ray Speth <speth@mit.edu>
2023-08-13 15:41:38 -05:00
Ingmar Schoegl
52309ee8b5
[oneD] Clarify Inlet1D docstrings
2023-08-13 16:39:42 -04:00
Ingmar Schoegl
6b397a5a2f
[oneD] Rename usesLambda to isStrained
2023-08-13 16:39:42 -04:00
Ingmar Schoegl
349316b19f
[oneD] Drop terms that are zero by definition
2023-08-13 16:39:42 -04:00
