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🌱 A fast line-by-line code for high-resolution infrared molecular spectra

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### 🔖 Feature description I want to calculate the non-equilibrium partition function of H2O, but the database only contains those of CO and CO. Should I simply replace the spectral...

enhancement

### 🐛 Describe the bug A small shift is introduced to the wavelength array that causes incorrect plots. For instance, modifying the basic example in the README slightly to this,...

bug

### 🐛 Describe the bug I noticed that when I create a SpectrumFactory where I provide the argument "neighbour_lines" with a nonzero value, this leads to some issues with gpu...

bug

### Description This PR fixes an issue where the GEISA databank did not expose a `branch` column, causing the GPU path to fail. The fix derives `branch` and `jl` from...

This pull request addresses the documentation build limitations described in #887. It enables compatibility with modern Sphinx and Docutils versions and significantly reduces build warnings. Changes: Relaxed Dependencies: Updated pyproject.toml...

### 💭 Description Each implementation of a database fetch results in a different way of printing the progress of the downloading and parsing to h5/hdf5. It would be more professional...

good first issue
todo

Fixes #881 Adds multithreaded CO₂ HITEMP download support in `hitempapi.py` using `ThreadPoolExecutor` for faster processing of multiple chunks. - Added `_download_single_chunk()` helper for cleaner logic. - Enabled parallel downloads (max...

### Description This pull request is to address ... Fixes #

### Description This pull request provides graphs similar to those produced in the paper describing the LDM optimization, see https://doi.org/10.1016/j.jqsrt.2020.107476

### 🐛 Describe the bug The version of sphinx and docutils are limited after the fix of #887. If someone could update the doc to remove these limitations, this would...

bug
good first issue
documentation