Carsten Fortmann-Grote

[openPMD](https://github.com/openPMD) should become the default metadata standard in most if not all modules. In the SPI toolchain, the PMI module writes to a custom format which is then picked up...

The CrystFELPhotonDiffractor can simulate diffraction patterns for a given sample structure and for various types of x-ray probe spectra. One option is "SASE". Here, the pulse is modeled as a...

Devise a workflow to feed radiation-hydrodynamics simulation output into the FEFF code for EXAFS simulations

- [ ] Implement a restart functionality in DMPhasing. Restart from an existing run_dir. - [ ] Interface for hawk/uwrapc for 2D phasing (Hawk2DPhasor)

benchmarking for esther: - no data for visar - intensity fluctuations, sims would overestimate pressure. adjust overall intensity (see hyades). - need estimations for 15J in ramp up phase for...

- [x] Enable setting of photon beam parameters via PhotonBeamParameters object in the same fashion in CrystFELDiffractor and SingFELDiffractor. Consider using base class for this. - [x] Behavior should be...

Establish a service / database where simulations can be stored with all metadata, parameters, and results for archiving and sharing. Possible use cases include reusing and restarting simulations from existing...

Any recommendations welcome: - Webbased or not - Use existing workflow manager tools, GUIs etc (e.g. Oasys)

not sure what this means. we don't have two codes for the same task anywhere. comments?

Compare XFEL SASE1 and SPB-SFX commissioning data to XPD+WPG simulations