PelePhysics

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Overall objective: make the documentation organization match the code organization - [x] Quickstart/Installation - [ ] Introduction: overview of code functionality and design - [ ] Major source components -...

baperry2

surfchem - modified ck,py, production.py, utilities.py and converter.py

7

Reworked the `CEPTR` modules generating `mechanism.cpp` to work with heterogeneous reaction mechanisms. - Methods changed/added in: 1. `ck.py`: `ckncf`, `cksyme_str`, `cksyms_str`, `ckkfkr` 2. `production.py`: `progress_rate_fr` 3. `utilities.py`: Added `get_function_prefix`, `get_phase`,...

jAnirudh

The `NonIdealChungCorrections` routine for `Simple` transport provides modified transport coefficients for real gasses (i.e. SRK EOS in Pele). The corrections are based on empirical relationships from Chung 1984 and 1988...

baperry2

Ensure C1 thermo. properties for species

4

The deltaT solve in LM/LMeX can fail when the species thermodynamic is not C1, with residuals bouncing +/-. This can be the case around the low temperature to high temperature...

esclapez

PeleMP-Bad injection particle

1

Hello! When I use a 2D axisymmetric model to calculate a spray case, as shown in the attached figure, I encounter this error message at a certain step of the...

CAIROCharlie

Includes new capability to define black box function (either a table or a neural network) and use this function in an EOS. Still some cleaning up that needs to get...

baperry2

- Pass eosparm through the ReactorRK64 call stack so it can be used as needed - Also fixes a bug where the limit to avoid overstepping the integration time for...

baperry2

Chemical mask implementation

1

Chemistry mask implementation. Updated Arkode, Cvode, RK64, and BDF chem integrators to mask chemical reactions inside a user-specified box region. Verified code change on PMF case for Clang serial, MPI,...

SreejithNREL

From @mrieth1: I think that might just be incompatible with rocm >= 5.7, when I load: ``` module load cray-python module load PrgEnv-cray module load rocm/6.0.0 module load craype-accel-amd-gfx90a module...

baperry2

CEPTR: Error converting QSS mechanisms with comments in falloff reactions

1

I am converting the [HyChem Jet-A (posf10325) mechanism](https://web.stanford.edu/group/haiwanglab/HyChem/pages/download.html) for use in PelePhysics. I get an error when generating the QSS version, because it appears that some comments in the mechanism...

baperry2