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feat(weak): major weak rate progress

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Major weak rate progress which includes: A refactor of many of the public interfaces for GridFire Engines to use composition objects as opposed to raw abundance vectors. This helps prevent index mismatch errors. Further, the weak reaction class has been expanded with the majority of an implimentation, including an atomic_base derived class to allow for proper auto diff tracking of the interpolated table results. Some additional changes are that the version of fourdst and libcomposition have been bumped to versions with smarter caching of intermediate vectors and a few bug fixes.
This commit is contained in:
Emily Boudreaux
2025-10-07 15:16:03 -04:00
parent 4f1c260444
commit 8a0b5b2c36
53 changed files with 2310 additions and 1759 deletions
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8
src/include/gridfire/engine/procedures/priming.h
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@@ -37,7 +37,7 @@ namespace gridfire {
*
* @param engine Engine providing the current set of network reactions and flow calculations.
* @param species The atomic species whose destruction rate is computed.
* @param Y Vector of molar abundances for all species in the engine.
* @param composition Current composition providing abundances for all species.
* @param T9 Temperature in units of 10^9 K.
* @param rho Density of the medium.
* @pre Y.size() matches engine.getNetworkReactions().size() mapping species order.
@@ -47,7 +47,7 @@ namespace gridfire {
double calculateDestructionRateConstant(
const DynamicEngine& engine,
const fourdst::atomic::Species& species,
const std::vector<double>& Y,
const fourdst::composition::Composition& composition,
double T9,
double rho
);
@@ -60,7 +60,7 @@ namespace gridfire {
*
* @param engine Engine providing the current set of network reactions and flow calculations.
* @param species The atomic species whose creation rate is computed.
* @param Y Vector of molar abundances for all species in the engine.
* @param composition Composition object containing current abundances.
* @param T9 Temperature in units of 10^9 K.
* @param rho Density of the medium.
* @pre Y.size() matches engine.getNetworkReactions().size() mapping species order.
@@ -70,7 +70,7 @@ namespace gridfire {
double calculateCreationRate(
const DynamicEngine& engine,
const fourdst::atomic::Species& species,
const std::vector<double>& Y,
const fourdst::composition::Composition& composition,
double T9,
double rho
);