HITRAN ------ .. _HITRAN_step_1: Step 1, Species Properties ~~~~~~~~~~~~~~~~~~~~~~~~~~ The HELIOS-K repository provides a file called ``Hitran_species.dat``. This file contains all available species of the Hitran database. The file format is: ``Species ID, Abundance, Molecular Mass in g/mol, Q(296K), partition function file, gi, Isotopologue Formula`` The same information can be found at ``https://hitran.org/docs/iso-meta/``. The species ID consitst of a two digits molecule ID and a one digit local isotopologue ID. Note that the local isotogologue ID can sometimes consist of non numerical values. e.g A or B, For identifying a species, the molecule number and the isotopologue number should be combinded, e.g. ``01_1`` for 1H2-16O or ``01`` for all isotopogolues from H20. The ``Hitran_species.dat`` file can be recreated or updated with the python code ``hitran2.py``. .. _HITRAN_step_2: Step 2, Download the files ~~~~~~~~~~~~~~~~~~~~~~~~~~ The line list files must be downloaded manually from `www.hitran.org``, and note that it is necessary to register on the hitran homepage. To download the files, select DataAcess and then Line-by-line. Select the molecule id, select all isotopologues (single isotopologues can be filtered later), leave wavenumber range blank, select ``.par``\ file and store the file on your computer under the name ``Molecule-ID_hit16.par``, e.g. 01_hit16.par for H2O. Download all the necessary partition function files from Documentation/Isotogologues. .. _step-3-create-<-species->.param-file-and-binary-files: Step 3, create ``.param`` file and the binary files ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ All necessary files can be created with: :: ./hitran -M < molecule ID > -ISO < isotopologue ID > -in < line list name > The ```` is the two digit molecule number, e.g. ``01`` for H2O. The ```` is the hitran internal isotopologue identifier, e.g. ``1`` for 1H2-16O. The ```` is the name that was given in the download section, e.g. ``hit16``. .. _step-4-data-path-1: Step 4, data path ~~~~~~~~~~~~~~~~~ Include the path of the directory, which contains the obtained binary files, the ``*.txt`` partition function files and the ``*.param`` file to the HELIOS-K ``param.dat`` file under ``pathToData``.