Improving README.md with more information about the method #48
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@danielhollas, it would be great if you could have a look at this PR (of course not on the weekend). The changes in the code are just some printing, the main changes are in the README.md file. I created a more profound manual and code description to help people use the code. If you could look at the whole file, it would be awesome. Feel free to correct any bad wording, typos or whatever you find. Once we agree on the README, I want to release it as v1.0.1 (first test and then full release). If anyone downloads the code, it would be useful to have something like a manual there. |
| The **PROMDENS** workflow is briefly summarized as: | ||
| 1) The absorption spectrum is calculated using the Nuclear Ensemble Approach and decomposed into different excited states. | ||
| 2) The laser field and its characteristics such as spectral intensity are calculated. | ||
| 3) The code checks if the pulse fulfils Maxwell equations, i.e., is not too short. |
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This feels like a technical detail that could perhaps be omitted here
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I wanted to show the structure of the code. It might be useful to tell people they will also get a spectrum from it and an analysis of the pulse. I will think about some improvements for the future.
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Sorry for not being clear, I meant only the third point about the Maxwell condition
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Aah, I see. I wanted to emphasise it since it's quite a cool feature (at least for me). I will keep it for now but think about it for the next modifications. But thanks for all the comments!!
Co-authored-by: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Just small improvements in README.md and footer and header of the code. I should also add a section about data processing using the example in README.md (#49).