ReFRACtor / ABSCO

Software that can generate a set of ABSoprtion COefficient tables that span the thermal IR to UV spectral range
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Add HDO #17

Closed pernak18 closed 1 year ago

pernak18 commented 1 year ago

We are now considering running ABSCO with heavy water, given interest by the TROPESS team.

Screen Shot 2023-01-18 at 1 16 11 PM

Summary:

pernak18 commented 1 year ago

@mcduffie Karen wanted me to confirm with you that HDO mixing ratios should be with respect to dry air and not water vapor. is this true? if so, we are pretty close to having HDO capability within ABSCO.

please and thanks,

mcduffie commented 1 year ago

HDO should be treated the same as any other species is what I am being told.

pernak18 commented 1 year ago

brainstorming with Karen: slack_conversation_25-Jan-2023.tgz

should be addressed with 768c6de98b072c8c376e7e720e4e34097c173a65 and eb8129ff9ccf404a769f7bff95bbf4f060a728c2, but with caveats:

pernak18 commented 1 year ago

isotopologue files can be generated with some legacy IDL code at AER:

% hostname
ceres.aer.com

% setenv IDL_STARTUP ~/misc_idl/benchmark_IDL_STARTUP.pro

% idl
IDL Version 8.2.1 (linux x86_64 m64). (c) 2012, Exelis Visual Information Solutions, Inc.
Installation number: 1407-1.
Licensed for use by: Atmospheric & Environmental Research

IDL> pwd
% Compiled module: PWD.
/nas/project/rc_static/models/aer_line_parameters/AER_line_files/aer_v_3.8.1/line_files_By_Molecule/01_H2O
IDL> t7_select_lines, '01_H2O', '01_h2o_161_only', form_lnfl='F100', iso=1, mol=' 1'
% Compiled module: T7_SELECT_LINES.
% Compiled module: READ_T7_LNFL.
Writing File: 01_h2o_161_only
IDL> t7_select_lines, '01_H2O', '01_h2o_162_only', form_lnfl='F100', iso=4, mol=' 1'
Writing File: 01_h2o_162_only
IDL> t7_select_lines, '01_H2O', '01_h2o_171_only', form_lnfl='F100', iso=3, mol=' 1'
Writing File: 01_h2o_171_only
IDL> t7_select_lines, '01_H2O', '01_h2o_172_only', form_lnfl='F100', iso=6, mol=' 1'
Writing File: 01_h2o_172_only
IDL> t7_select_lines, '01_H2O', '01_h2o_181_only', form_lnfl='F100', iso=2, mol=' 1'
Writing File: 01_h2o_181_only
IDL> t7_select_lines, '01_H2O', '01_h2o_182_only', form_lnfl='F100', iso=5, mol=' 1'
Writing File: 01_h2o_182_only

the files have been attached. HDO is 01_h2o_162_only

IDL_STARTUP sets the IDL path, which should contain T7_SELECT_LINES and READ_T7_LNFL code, and it should contain something like:

myPath =  '/home/rpernak/misc_idl/textoidl:' + $
          expand_path('+/nas/project/rc/rc2/malvarad/idl/', /all_dirs) + ':' + $
          expand_path('+/project/rc/rc2/mshep/idl/', /all_dirs) + ':' + $
          expand_path('+/nas/home/malvarad/IDL/gamap2/') + ':' + $
          '/nas/project/rc/rc2/malvarad/idl/codes_hitran_lnfl/:' + $
          '/home/rpernak/misc_idl:'+$
          !path
pref_set,'IDL_PATH',myPath,/commit
mcduffie commented 1 year ago

Is this ready for testing? It is not clear what additional steps would be needed. Would we need to run the IDL script first?

pernak18 commented 1 year ago

@mcduffie i'll work on a more complete line file package with Karen. users should not have to run the IDL script -- this was just a reminder to me in case this comes up in the future.

feel free to run with HDO as a molecule, but Karen and I still need to make time to interpret the results. that's why i kept the issue open -- verification is not complete.

apologies -- i'll branch off next time instead of pushing directly to master

pernak18 commented 1 year ago

still more to do: slack_2023-01-27_083139

pernak18 commented 1 year ago

code is good-to-go after some testing by Karen and me, merge of hdo_dev branch onto master has been requested.

additional, more organized documentation is or will be provided in the Modeling HDO Wiki page