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Finalize Gen PR #177

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511a539
Metal chemistry, grain growth
genchiaki Jun 22, 2020
bdfa14f
enable multi metals
genchiaki Jun 29, 2020
88f7720
modify solver of grain temperature
genchiaki Jul 10, 2020
eecb3ad
correct gasgr
genchiaki Jul 10, 2020
38116eb
correct confliction of parameters
genchiaki Jul 17, 2020
1d5c9e3
more stable at high density and temperature
genchiaki Jul 25, 2020
f03bdf3
correct convergence criteria
genchiaki Jul 26, 2020
c2c344a
correct chunit
genchiaki Jul 27, 2020
8b6f008
correct a fatal error in scale_fields_g (only for comoving)
genchiaki Jul 28, 2020
f3977a5
correct for SMBH radiation problem
genchiaki Jul 29, 2020
62bfa64
make consistency of dust density
genchiaki Jul 31, 2020
29d8998
for NAOJ
genchiaki Aug 4, 2020
973ba10
correct chunit
genchiaki Aug 5, 2020
e21a272
correct chunit for iexpand = 1 (final)
genchiaki Aug 6, 2020
88ec27d
comment out write statements
genchiaki Aug 6, 2020
eb8f4ee
correct chunit for cosmology simulations
genchiaki Aug 11, 2020
b833c9d
convergence criteria for imp_eng = 0
genchiaki Aug 13, 2020
7afaa2e
convergence criteria for imp_eng = 0 II
genchiaki Aug 13, 2020
0c24be5
convergence criteria for imp_eng = 0 III
genchiaki Aug 20, 2020
ef01ada
multi metals
genchiaki Aug 31, 2020
6b79d74
correct ceiling_species for multi_metals
genchiaki Sep 8, 2020
dd3c4e5
correct error in ceiling_species
genchiaki Sep 14, 2020
fab8734
metal ionization/dissociation
genchiaki Jan 17, 2021
6a4f1a9
correction
genchiaki Apr 12, 2021
2b233d9
Merge remote-tracking branch 'genchiaki/metal-dust-radiation' into ge…
EwanBJones98 Sep 22, 2022
7faef62
Merged genchiaki's pull request into master. Not yet compiled or tested.
EwanBJones98 Sep 22, 2022
ea06a25
Added rates moved from calc_rates_g.F to rate_functions.c (in last co…
Oct 2, 2022
56f04eb
Began pygrackle update for merge
Nov 10, 2022
29fe448
Merged master into branch
Nov 10, 2022
963961d
Fixing bugs in pygrackle merge
Nov 11, 2022
ae8cf65
Pygrackle wrapper now compiles. Ready for testing!
Nov 14, 2022
c7ec575
modify several parts
genchiaki Mar 23, 2023
4cce99f
tests cleared
genchiaki Mar 23, 2023
864ed4c
Merging with main.
brittonsmith Apr 18, 2023
00bbbb0
Merger remnants.
brittonsmith Apr 18, 2023
7f7e08b
fix a conflict
genchiaki May 17, 2023
8eebcca
Merge branch 'main' into genchiaki_merge2
brittonsmith May 19, 2023
76a431b
Revert changes to linux make file.
brittonsmith May 22, 2023
a1e7588
Update src/clib/initialize_rates.c
genchiaki May 27, 2023
d289462
answer to comments/questions
genchiaki Jun 5, 2023
1db890f
Reset pygrackle cython files to main.
brittonsmith Jun 8, 2023
220462e
Add metal_chemistry parameter with default value.
brittonsmith Jun 8, 2023
016ffad
Add new primordial chemistry and metal chemistry fields to python wra…
brittonsmith Jun 8, 2023
369fde9
Add metal chemistry fields to fluid container
brittonsmith Jun 8, 2023
e95fb89
Add new primordial chemistry fields to free fall example.
brittonsmith Jun 8, 2023
ac4666a
Stop tracking auto generated file.
brittonsmith Mar 1, 2024
05803f3
Remove machine make files.
brittonsmith Mar 1, 2024
4390636
Revert gitignore change.
brittonsmith Mar 1, 2024
8827fd6
Add pc=4 species in pygrackle.
brittonsmith Mar 7, 2024
ae1fc85
Fix HDI contribution to nH and include primorridal_chemistry 3 terms …
brittonsmith Mar 4, 2024
d4628f3
Add HDII to nH calculation.
brittonsmith Mar 7, 2024
855d461
Add free script using metal chemistry.
brittonsmith Mar 8, 2024
df5cb31
Do proper metallicity scaling.
brittonsmith Mar 8, 2024
209ae66
Remove deprecated internal functions.
brittonsmith Mar 14, 2024
a9a9220
Remove OTHER_DEFINES from make file.
brittonsmith Mar 15, 2024
6fa0a00
Merging with main, first day of spring 2024.
brittonsmith Mar 20, 2024
3ad0254
Fix wild, loose commas.
brittonsmith Mar 20, 2024
b2ff6c1
Make commas consistent in c files.
brittonsmith Mar 20, 2024
d19dc62
Initialize some size pointers we always need.
brittonsmith Mar 22, 2024
14c4996
Always initialize primordial opacity.
brittonsmith Mar 22, 2024
e6dbd1c
Fix linting errors, just want to see tests run.
brittonsmith Mar 22, 2024
2f2a25a
Remove unused parameter.
brittonsmith Mar 26, 2024
e0eb543
Remove unused grain opacity variables.
brittonsmith Mar 26, 2024
4b3b412
Merging with main.
brittonsmith Aug 20, 2024
361a679
Update cmake build.
brittonsmith Aug 20, 2024
b6ae5a3
Merging with gtest.
brittonsmith Aug 20, 2024
818afde
Fix merge typo.
brittonsmith Aug 20, 2024
1919643
Add atomic data.
brittonsmith Aug 20, 2024
7a0b2a3
Add metal_chemistry support in setup_fluid_container.
brittonsmith Aug 20, 2024
7c09fe2
Remove freefall script copy.
brittonsmith Aug 20, 2024
cb84275
Add support for multi_metals and metal_abundances fields and rename f…
brittonsmith Aug 21, 2024
acea316
Add dust_species support and rename fields for consistency.
brittonsmith Aug 21, 2024
ab2a6de
Add support for multiple dust temperatures.
brittonsmith Aug 21, 2024
bf70b13
Add dust sublimation support.
brittonsmith Aug 21, 2024
0ba3589
Add grain_growth support.
brittonsmith Aug 21, 2024
58ada3e
Remove unused radiative_transfer_H2II_diss parameter.
brittonsmith Aug 21, 2024
e94ec46
Add radiation transter flags and fields and rename for consistency.
brittonsmith Aug 21, 2024
5bf449c
Add the last of the new parameters.
brittonsmith Aug 22, 2024
62ceb75
Move calc_rates functions to initialize_rates.
brittonsmith Aug 23, 2024
2c6291b
Move calc dust rates functions inside calc_rates_dust and rename for …
brittonsmith Aug 23, 2024
bbcb4de
Remove unused variables and includes.
brittonsmith Aug 23, 2024
a1f58a2
Add function to free dust yield data.
brittonsmith Aug 23, 2024
1c035a0
Remove unused variables and fix error messages for metal chemistry ra…
brittonsmith Aug 25, 2024
abdca6e
Move Chiaki primordial rates to initialize_rates.
brittonsmith Aug 25, 2024
66020ea
Merge branch 'main' into gen2024
brittonsmith Aug 25, 2024
59c9e73
Merging data file repo with main.
brittonsmith Aug 26, 2024
5dbb21f
Refactor metal cooling rates initializer and add associated cleanup f…
brittonsmith Aug 26, 2024
10a7e25
Update NULL/0 initialization for all chemistry_data_storage members.
brittonsmith Aug 26, 2024
e72ebed
Fix a few more in the initialization.
brittonsmith Aug 26, 2024
40c4bfb
Fix some allocation and freeing issues and thread in all metal field …
brittonsmith Aug 26, 2024
6b79b40
Fix flake8 error.
brittonsmith Aug 27, 2024
5a323f0
Allow initialize_metal_chemistry_rates to run based on primordial_che…
brittonsmith Aug 27, 2024
5b1eae8
Reorganize fields struct and grackle_wrapper to make it clearer that …
brittonsmith Aug 28, 2024
0176cd2
Rename individual dust temperature fields and allow them to be calcul…
brittonsmith Aug 30, 2024
41ed4bb
Put primordial continuum opacity inside runtime parameter.
brittonsmith Aug 30, 2024
756c7ea
Add missing arguments to cool1d_multi call.
brittonsmith Sep 2, 2024
5abc24f
Always calculate metallicity and use it in place of metal divided by …
brittonsmith Sep 2, 2024
3d9d098
Move some rates into the correct if statement.
brittonsmith Sep 2, 2024
d579b3c
Add h2_cooling_rate runtime parameter to choose H2 cooling rates.
brittonsmith Sep 2, 2024
4b7b100
Implement H2 cooling rate runtime parameter.
brittonsmith Sep 2, 2024
8ea49e7
Add hd_cooling_rate runtime parameter for HD cooling rate selection.
brittonsmith Sep 2, 2024
760c558
Implement hd cooling rate runtime option.
brittonsmith Sep 2, 2024
b6fe1bf
Add runtime option to cie_cooling parameter to use Yoshida 2006 rates.
brittonsmith Sep 3, 2024
6ebd34b
Use float variable for toggling H2 cooling with ih2co parameter.
brittonsmith Sep 3, 2024
dec7ddd
Flesh out comments for parameters in headers.
brittonsmith Sep 3, 2024
5e5e6a7
Merge branch 'main' into gen2024
brittonsmith Sep 5, 2024
0692eaa
Change use_stancil_lepp_dalgarno_1998 parameter to hd_reaction_rates.
brittonsmith Sep 5, 2024
5400f61
Change use_omukai_gas_grain parameter to gas_grain_cooling_rate.
brittonsmith Sep 5, 2024
bcae634
Change use_uniform_grain_dist_gamma_isrf parameter to uniform_grain_i…
brittonsmith Sep 5, 2024
c4ee340
Update fdatamembers.
brittonsmith Sep 5, 2024
4bb9d75
Update fortran interface.
brittonsmith Sep 5, 2024
2dc06d4
Remove old test_data directory.
brittonsmith Sep 10, 2024
d18c8b0
Output all fields that fail in code examples tests.
brittonsmith Sep 10, 2024
0ac411b
Output all fields that fail in code examples tests.
brittonsmith Sep 10, 2024
4ca4b3c
Standardize code examples and add calculate calls both before and aft…
brittonsmith Sep 11, 2024
e325e64
Update code examples test to get before and after results.
brittonsmith Sep 11, 2024
147444b
Merge with codetest branch.
brittonsmith Sep 11, 2024
4c0484c
Fix indent for clarify.
brittonsmith Sep 13, 2024
971a499
Add standalone scale_fields subroutine.
brittonsmith Sep 13, 2024
84c0b3e
Use standalone scale_fields in solve_rate_cool.
brittonsmith Sep 13, 2024
3de14ae
Make sure dust cooling is additive when dust_species > 0.
brittonsmith Sep 18, 2024
2682bf6
Add tabulated_cooling_minimum_temperature to supplement metal chemist…
brittonsmith Sep 18, 2024
70eac5c
Implement temperature threshold for supplementing metal chemistry wit…
brittonsmith Sep 18, 2024
7acc064
Remove unnecessary variable initialization and optimize some arithmetic.
brittonsmith Sep 19, 2024
f433acb
Remove some commented out debugging print.
brittonsmith Sep 19, 2024
c04b201
Make velocity unit fix consistent with main.
brittonsmith Sep 20, 2024
44a5c19
Simplify itmask_metal calculation and limit to one place.
brittonsmith Oct 17, 2024
16b61d4
Fix compiler warning.
brittonsmith Oct 17, 2024
b70e94c
Add some local variables to simplify if statements.
brittonsmith Oct 17, 2024
25f252b
Remove some old debug printing.
brittonsmith Oct 17, 2024
f2ecabb
Remove commented out debugging code.
brittonsmith Oct 18, 2024
ce881e9
Change types of the d_N and d_Size variables inside of lookup_cool_ra…
mabruzzo Oct 20, 2024
d5da3fb
fix a minor formatting error that causes CI to fail.
mabruzzo Oct 20, 2024
395d207
replaced int8(arg) with int(arg, 8) 4 times
mabruzzo Oct 20, 2024
7fb933a
replace int8(arg) with int(arg) throughout cool1d_multi_g.F
mabruzzo Oct 20, 2024
b89b1d3
Remove where clause from itmask_metal calc
mabruzzo Oct 21, 2024
017d82a
Merge pull request #3 from mabruzzo/gen2024-fix-flake8-complaint
brittonsmith Oct 22, 2024
6c7564a
Merge pull request #4 from mabruzzo/gen2024-removing-int8-casts
brittonsmith Oct 22, 2024
c3c0734
Merge pull request #5 from mabruzzo/gen2024-removing-where-clause
brittonsmith Oct 22, 2024
40d5eb2
Fix tabbing for readability.
brittonsmith Oct 22, 2024
6737286
Merge branch 'gen2024' of github.com:brittonsmith/grackle into gen2024
brittonsmith Oct 22, 2024
1ebc512
Add comment.
brittonsmith Oct 22, 2024
24cfbc5
Standardize parameter declaration
mabruzzo Oct 22, 2024
21fb999
standardized the format of precision-dependent tolerance
mabruzzo Oct 22, 2024
3f747da
adding include-directive for the sake of consistency.
mabruzzo Oct 27, 2024
ed05328
Convert most logicals to MASK_TYPE
mabruzzo Oct 29, 2024
2d24754
minor refactoring of cool1d_multi_g so that it is easier to transcribe
mabruzzo Oct 27, 2024
0de37a1
fixing a type declaration.
mabruzzo Oct 27, 2024
ecc61f2
reformatted some lines into a more-friendly format for transcription.
mabruzzo Dec 4, 2024
db6d0dd
Removed unused argument from lookup_cool_rates0d
mabruzzo Dec 4, 2024
a0f244c
Define dummy_iter_arg within cool_multi_time_g
mabruzzo Dec 4, 2024
6c7e1b9
reformatted some lines into a more-friendly format for transcription.
mabruzzo Dec 4, 2024
09f10cf
Removed unused argument from lookup_cool_rates0d
mabruzzo Dec 4, 2024
a9ac1ab
Define dummy_iter_arg within cool_multi_time_g
mabruzzo Dec 4, 2024
2916da1
update readme for this special development branch
mabruzzo Dec 4, 2024
234a676
Minor tweaks to improve transcription
mabruzzo Dec 4, 2024
37838a4
Minor tweaks to improve transcription
mabruzzo Dec 4, 2024
c175cdb
Porting over various physical constants defined in the Fortran
mabruzzo Dec 11, 2024
45fcf22
Merge pull request #6 from mabruzzo/gen2024-standardize-parameter-decl
brittonsmith Dec 16, 2024
55d9519
Merge pull request #8 from mabruzzo/gen2024-misc
brittonsmith Dec 16, 2024
370b7bd
Merge pull request #9 from mabruzzo/gen2024-constants
brittonsmith Dec 16, 2024
eae0850
Merge remote-tracking branch 'origin/gen2024-dev' into gen2024-step_r…
mabruzzo Dec 17, 2024
4a71873
Initial attempt at extracting newtonraphson
mabruzzo Dec 13, 2024
89a8bf3
attempt to remove some unneeded local variables from solve_rate_cool …
mabruzzo Dec 13, 2024
c65665e
convert itr_time into a local variable of step_rate_newton_raphson
mabruzzo Dec 13, 2024
0d322fa
convert nsp, isp, jsp, id into local variables of step_rate_newton_ra…
mabruzzo Dec 13, 2024
ac1be72
converting a bunch more variables so that they are local variables of…
mabruzzo Dec 13, 2024
41645e3
fixing a few bugs related to inconsistent array shapes.
mabruzzo Dec 16, 2024
da4c3b5
Correct the declaration of regra in cool_multi_time_g
mabruzzo Dec 16, 2024
185635a
Merge pull request #7 from mabruzzo/gen2024-dev
brittonsmith Dec 18, 2024
1bd31a9
Merge branch 'main' into gen2024
brittonsmith Dec 18, 2024
60a389e
Merge pull request #10 from mabruzzo/gen2024-step_rate_newton_raphson
brittonsmith Dec 18, 2024
001f509
Merge pull request #11 from mabruzzo/gen2024-rank-errors
brittonsmith Dec 18, 2024
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6 changes: 6 additions & 0 deletions README.md
Original file line number Diff line number Diff line change
@@ -1,3 +1,9 @@
> [!IMPORTANT]
> This is a special version of the [brittonsmith:gen2024](https://github.com/brittonsmith/grackle/tree/gen2024) branch (i.e. the branch of changes proposed for merging in the grackle-project/grackle#177 Pull Request).
>
> This branch includes additional changes that are needed to simplify the transcription process to C++. There are pending PRs to merge all of these changes into the gen2024 branch ([see this list of PRs](https://github.com/brittonsmith/grackle/pulls/mabruzzo))


# Grackle

[![Users' Mailing List](https://img.shields.io/badge/Users-List-lightgrey.svg)](https://groups.google.com/forum/#!forum/grackle-cooling-users)
Expand Down
8 changes: 8 additions & 0 deletions src/clib/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -97,6 +97,8 @@ add_library(Grackle_Grackle
set_default_chemistry_parameters.c
solve_chemistry.c
update_UVbackground_rates.c
initialize_dust_yields.c
initialize_metal_chemistry_rates.c
utils.c

# auto-generated C source files
Expand All @@ -113,6 +115,11 @@ add_library(Grackle_Grackle
cool_multi_time_g.F
interpolators_g.F
solve_rate_cool_g.F
step_rate_newton_raphson.F
calc_grain_size_increment_1d.F
gaussj_g.F
lookup_cool_rates0d.F
scale_fields_g.F

# explicitly list the autogenerated header(s)
# -> If we don't explicitly list these (storing it in a list isn't adequate)
Expand Down Expand Up @@ -140,6 +147,7 @@ add_library(Grackle_Grackle
index_helper.h
phys_constants.h
utils.h
dust_const.def

# Fortran public headers
../include/grackle.def
Expand Down
15 changes: 11 additions & 4 deletions src/clib/Make.config.objects
Original file line number Diff line number Diff line change
Expand Up @@ -20,8 +20,6 @@ OBJS_CONFIG_LIB = \
calculate_temperature.lo \
calc_temp1d_cloudy_g.lo \
calc_temp_cloudy_g.lo \
calc_tdust_1d_g.lo \
calc_tdust_3d_g.lo \
cool1d_cloudy_g.lo \
cool1d_cloudy_old_tables_g.lo \
cool1d_multi_g.lo \
Expand All @@ -31,12 +29,21 @@ OBJS_CONFIG_LIB = \
index_helper.lo \
initialize_chemistry_data.lo \
initialize_cloudy_data.lo \
initialize_dust_yields.lo \
initialize_metal_chemistry_rates.lo \
initialize_rates.lo \
initialize_UVbackground_data.lo \
interpolators_g.lo \
scale_fields_g.lo \
set_default_chemistry_parameters.lo \
solve_chemistry.lo \
solve_rate_cool_g.lo \
update_UVbackground_rates.lo \
lookup_cool_rates0d.lo \
calc_tdust_1d_g.lo \
calc_tdust_3d_g.lo \
calc_grain_size_increment_1d.lo \
rate_functions.lo \
initialize_rates.lo \
utils.lo
gaussj_g.lo \
utils.lo \
step_rate_newton_raphson.lo
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