Add HDO

[pernak18]

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

Summary:

• run LNFL for water vapor, replacing the H2O spectroscopy file with the 01_h2o_162_only (i.e., HDO lines)
• for the LBL TAPE5, replace H2O layer amounts with HDO amounts -- i.e., HDO goes into H2O fields

[pernak18]

@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]

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

[pernak18]

brainstorming with Karen: slack_conversation_25-Jan-2023.tgz

should be addressed with 768c6de and eb8129f, but with caveats:

• we need to run v&v
• we're working with an HDO ASCII line file, not the full H2O one, and it has not been available in our recent public releases; the last time isotopologue line file
  s were part of the line file releases was with AER v3.7

[pernak18]

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]

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]

@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]

still more to do:

[pernak18]

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