pymultigrid
pymultigrid provides line-by-line molecular spectra tools based on DSM and multigrid methods.
Install
pip install .
CLI
pymultigrid --help
pymultigrid demo dsm_demo_1
pymultigrid calc -i CO2.par -o spectrum.txt
pymultigrid calc -m multigrid -i CO2.par -r 2100 2400 -s 0.05 -t 323 -o out.txt -x
Commands
demo DEMO— run a script fromdemo/(e.g.dsm_demo_1,dsm_demo_2,multigrid_demo_1).calc— compute a spectrum and write a two-column text file (wavenumber, value).
calc options
| Option | Description |
|---|---|
-m, --method |
dsm or multigrid (default: dsm) |
-i, --input |
HITRAN .par file (required) |
-t, --temperature |
Temperature in K (default: 296) |
-p, --pressure |
Pressure in atm (default: 1) |
-f, --fraction |
Mole fraction of self (default: 0) |
-r, --range |
Wavenumber range NU_MIN NU_MAX (default: from file) |
-s, --step |
Grid step in cm⁻¹ (default: 0.01) |
-o, --output |
Output file path (required) |
-x, --abscoef |
Absorption coefficient; otherwise cross-section |
1 maintainer
Metadata
1 maintainer
Release files for pymultigrid 0.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
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| pymultigrid-0.1.0.tar.gz | 528.0 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| pymultigrid-0.1.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 1.1 MB
Release files / pymultigrid-0.1.0.tar.gz
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| Size | 528.0 kB |
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| Size | 544.8 kB |
| Tags | Python 3 |
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