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Add TChem interface for aerosols#204

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jcurtis2 wants to merge 37 commits intomasterfrom
link_tchem_aerosols
Open

Add TChem interface for aerosols#204
jcurtis2 wants to merge 37 commits intomasterfrom
link_tchem_aerosols

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@jcurtis2
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@jcurtis2 jcurtis2 commented Nov 4, 2024

  • Create aero_data from TChem using getters
    • Get number of aerosol species to allocate aero_data sizes
    • Get species name for each species
    • Get density for each species
    • Get molecular weight for each species
    • Get kappa for each species
  • Set the number concentrations from 1:n_part, and 0 for n_part+1 to maximum
  • Set the particle species masses in the state vector
  • Reconstruct the particle masses from TChem state vector.
  • Build process supports CPU and GPU

Testing

  • Test CPU code against TChem result
  • Test GPU code against TChem result
  • Fix tchem tests

@jcurtis2 jcurtis2 self-assigned this Nov 4, 2024
@jcurtis2 jcurtis2 marked this pull request as ready for review May 28, 2025 16:27
@jcurtis2 jcurtis2 requested a review from mwest1066 May 28, 2025 16:27
@slayoo
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slayoo commented Aug 28, 2025

FWIW, perhaps related warning caught on PyPartMC CI:

      /home/runner/work/PyPartMC/PyPartMC/gitmodules/partmc/src/tchem_interface.F90:23:23:
      
         11 |   use pmc_aero_data
            |      2
      ......
         23 |   subroutine initialize(arg_chemfile, arg_aerofile, arg_numericsfile, &
            |                       1
      Warning: Type mismatch in argument 'this' (CLASS(aero_rep_data_t)/CHARACTER(1)) between (1) and (2)

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slayoo commented Sep 16, 2025

closing and reopening to trigger codecov analysis

@slayoo slayoo closed this Sep 16, 2025
@slayoo slayoo reopened this Sep 16, 2025
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codecov Bot commented Sep 16, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 77.48%. Comparing base (e6356e7) to head (64f0236).

Additional details and impacted files
@@            Coverage Diff             @@
##           master     #204      +/-   ##
==========================================
+ Coverage   77.45%   77.48%   +0.03%     
==========================================
  Files          55       55              
  Lines        9420     9416       -4     
==========================================
  Hits         7296     7296              
+ Misses       2124     2120       -4     

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3 participants