---
# System prepended metadata

title: '2024-06-07 Coding day '
tags: [Coding day]

---

# Coding day
* Carlo working on NICS workchain for GAUSSIAN
* Andres working on suggestion from Lorenzo for Raman
* Fabio studying javascript GUI and working on sending JSON to AiiDAlab
* Lucas Working on final steps of the atmospheric simulations: hwo to do the inversion, fortran code still to be finalized, what to query and how still to be deided. Checking transfer queue, we have to ask Stephan what is the maximum time needed. Lucas writes to Stephan to know about it.
* Sasha will try to fix the QE PP plugin and continue working on the cube hanlder.

## Wrap up
* Carlo imported function to prepare the geometry for NICS, skeleton of workchain done, need to test geometry optimizaiton and then finalize the NICS workchain.
* Anres did teh integration suggested by Lorenzo but for the moment there is no much differenvce wrt teh powder case, next step is discussing with him and test different system
* Still working on small details but checked with Sasha for teh transfer queue and will write to Stephan
* Fabio is now able to send a JSON object containing name and smiles from a molecule to AiiDAlab using the openBIS plugin. To do: Find a way of accessing the samples within an experiment in order to send them to Aiidalab when clicking on the plugin (Javascript code)
* Sasha: worked on cube visualizer app ([PR226](https://github.com/nanotech-empa/aiidalab-empa-surfaces/pull/226)) as well as on the QE plugin update for the pp parser.