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Merge pull request #5 from spalato/feature-jlv10
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Update README.md
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spalato authored Oct 7, 2024
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Expand Up @@ -47,6 +47,10 @@ hard coded, read from a file, or computed from ancillary algorithms (for
example, diagonalizing a site basis to an exciton basis). `Julia` can call
code written in `C`, `Fortran` and `python`.

The best way to get started using the code for modeling is to look at supplied
examples. See the `/examples/` folder and the [Examples section](#Examples)
below.

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The purpose of this code is *not* to build a modeling suite, but to make this
tedious calculation easier to script. It assumes the user is capable of hacking their way through data using `Matlab` or `python`. Modeling suites often fall
Expand Down Expand Up @@ -235,7 +239,7 @@ Works, but deserve improvement:
Citing
======
If you found this useful, please consider citing the following paper:
> S. Palato, H. Seiler, P. Nijjar, O. Prezhdo, P. Kambhampat, Atomic fluctuations in electronic materials revealed by dephasing, *PNAS* (2020) https://doi.org/10.1073/pnas.1916792117
> S. Palato, H. Seiler, P. Nijjar, O. Prezhdo, P. Kambhampati, Atomic fluctuations in electronic materials revealed by dephasing, *PNAS* (2020) https://doi.org/10.1073/pnas.1916792117
Examples
========
Expand Down Expand Up @@ -275,15 +279,20 @@ Plotting in python requires `numpy` and `matplotlib`, see `examples/python_requi
Help!
=====
Please open an issue using the 'Issues' tab at the top. You found a bug? You
can't achieve what you want? Lost and confused? Anything works.
can't achieve what you want? Lost and confused? Maybe we can help (maybe not).

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TODO
====
- [x] Handle ground states easily. (Default lineshape functions in case they're missing)
- [x] Compilation to LUT
- [ ] Update python scripts to remove deprecation warnings
- [ ] Tidy up python dependencies
- [ ] Tidy up julia dependencies

<!--
- [ ] Switch to TOML
- [ ] Add rotating frames properly.
- [ ] Add automatic rephasing vs non-rephasing (`rephasing(grid,system)`).
- [ ] Do we want to add filters? Maybe just a `cookbook` is ok.
- [ ] Convenience for zeroing transition dipole moments (`forbidden`?)
- [ ] Convenience for uncorrelating states (lineshape function=zero)?
<!--
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