This github repo contains versions of the python code 'FlorPy' as described in

Bromley et al PSJ 2021 (Application: atomic Ni and atomic Fe)

Bromley et al MNRAS 2023 (Application: CO+)

Bromley et al Icarus 2024 (Application: CS)

The older versions used for the 2021 and 2023 manuscripts have been merged into a newer updated version, stored in the folder "current_version". The new version contains numerous bug fixes, speed ups, and also the addition of new utility codes. The repo is organized as follows:

The main model codes are stored in florpy_dict_v*.py and molecular_utils_florpy.py under /current_version/

The three provided test cases (atomic Ni, CO+, CS) are in the form of .py files, each in their own directory. Running them will provide multiple outputs in the same directory. These examples show how to run some of the basic functionality, such as:

-interacting with the dictionary structure

-plotting gfactors or band luminosities

-running the time-dependent models

-using the MonteCarlo error estimator

-using the thermalized ground state implementation (see CS examples).

The input files for these models, in the form of transition lists and energy level lists, are in formats similar to those provided for data downloaded from the NIST ASD. They are available in /input_files/, along with some additional information about how they were generated.

For ATOMIC systems, these were downloaded as tab-delimited files, with energies in units of cm^-1. See https://physics.nist.gov/PhysRefData/ASD/levels_form.html and https://physics.nist.gov/PhysRefData/ASD/lines_form.html.

For molecules, the inputs were generated by re-creating the rovibronic structures with PGOPHER, and parsing the line list exported by PGOPHER. For each molecule, we also provide the .pgo file and any related supplementary files in /input_files/.../supplementary/

The solar spectrum are stored in /solar_spectra/. After downloading the repo, you will need to un-tar them in place. The samples scripts are hard-coded to look back for the solar spectrum in /solar_spectra/, and well as looking into /input_files/ for the lines and level lists. The user must provide the correct file names. If one wants to run the model with solar spectra and their own input files in the same directory, replace the necessary filenames and comment out the os.chdir() commands.

If you have concerns, questions, or suggestions for improvements, changes, or added functionality, please contact me at sjb0068@auburn.edu. I am happy to coordinate any of these. SJB