Aerosol Water Calculation - #37
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June 24, 2024 15:29
…tly IonPair attributes are hard-coded, future updates will move IonPair attribute assignment to AerosolModelData parsing.
…ghts are assigned via hard-coded map in TChem_ZSR.cpp wrapper, future behavior will access molecular weights from AerosolModelData instance attributes
…ementation does not allow accessing sub model attributes outside the scope of the initChem parser yet.
…encapsulating ion pair vector
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added 10 commits
July 2, 2024 17:26
…ssign state vector quantities to relevant indices, revise arguments to aerosol water team invoke method.
…molecular weights. Revise the name of the aerosol water type and add a 1-d dual view (tentative).
…out code for adding attributes to the aerosol model constant data subclass
…el data instead of ion_pair objects), compute aerosol water for all ionpair objects that are attributes of the aerowater_model class, remove code using a lookup dictionary for computing molecular weights with values assigned in the parser module.
…e arguments to aerosol_water_single_particle team invoke
…to assign various IonPair attributes with corresponding updated primitive types, add code for assigning a dual 1d view of the aerowater_params
…ew of ionpair objects. Add corresponding attributes under aerosolmodel_constdata
…ode for acessing data with primitive type attributes, use a switch for calculation type (jacobson or eqsam)
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July 17, 2024 15:29
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Jul 30, 2024
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I compiled this branch on my workstation with CUDA and encountered a few warnings (calling a __host__ function from a __host__ __device__ function), which are due to std:: routines. Additionally, I encountered a compilation error that I have fixed. Please rebase your branch with the main branch.
…onditional statement to determine effective RH
…on (gases + aerosol species per particle), set arguments to team_invoke() to type const beside the state view
… other references to TChem's state variable.
…ter content [CURRENTLY FAILING]
…e_type, change state variable to value type (real type was incorrect)
…water values for each RH to aerowater view, copy from device to host and write values to file for comparison against host output
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TChem_ZSR.cpp(new wrapper script)IonPairstruct.statevariable instead of a general array data structure for assigning aerosol ICs.TChem_Util.hppmodificationsIonPairsstruct for ZSR calculation attributes (e.g., parameters for calculation using either Jacobson or EQSAM method)AeroWaterstruct (main struct for aerosol water calculations, encapsulates all of theIonPairinstances and indicates the parameter name for gas phase water and aerosol water)Potentially add AeroPhase struct for listing the name of species in the aerosol phase?TChem_AerosolModelData.cppmodificationsIonPairinstancesAeroWaterstruct for encapsulating parsed attributesTChem_AerosolModelData.hppmodificationsTChem_Impl_SingleParticleAerosolWater.hpp(new header file)TeamInvokemethod for calculating water contentAerosolModelDataattributes.