9 Commits

Author SHA1 Message Date
Ingmar Schoegl
009342ab33 [samples] Add missing F77 samples to SCons and unit tests 2022-08-30 22:32:57 -05:00
Ray Speth
9747fe8c9c Fix incorrect name/label in F90 sample 2022-08-09 06:51:27 -05:00
Ray Speth
43d2241423 Make volume of SurfPhase consistent with h = u + P*v
Defines molar volume to be zero. Density remains defined as being
per unit area or length, depending on the dimensionality of the phase.

Also fixes setting surface composition using mass/mole fractions so
that the sum of concentrations always equals the site density.

Partially resolves #1312
2022-08-09 06:51:27 -05:00
Ray Speth
fca204f11f [Fortran] Enable creating surfaces from YAML
Add an example of importing an interface phase / kinetics to the
F90 demo program
2022-05-25 04:02:58 -04:00
Tim Gallagher
80e93621fe [Fortran] Updated the blessed solution for the f90_demo to include new output. 2022-01-19 11:28:15 -05:00
Mark E. Fuller
be9511834f revise test comparisons for updated cxx and fortran examples 2021-10-01 15:47:12 -05:00
Ingmar Schoegl
0fef570082 [CI] Update regression test references
* test-clib: species-specific three-body reaction are reformatted
* test-cxx/test-f90: reformatted species-specific three-body reactions;
    change of spurious net reaction rates, which should be zero
* test-f77-ctlib: change of spurious net production rate for AR (gri30)
2021-04-26 20:21:06 -04:00
Raymond Speth
68d85229d4 Add N2 to h2o2.yaml
This makes it possible to use the h2o2 mechanism with air as the oxidizer.
2021-01-24 22:07:55 -05:00
Ray Speth
c3769ba56d [Fortran/Test] Add regression tests using the Fortran samples
The changes in the ctlib blessed output are mainly due to the updates of
physical constants and atomic weights (see 3e4842be9e and dc96fb5fe8).
2020-06-24 16:36:31 -04:00