Workflow search
The current search interface does not yet support the explicit search for specific workflows. In order to add these, the following should be done:
-
Add a new filter menu "Properties/Workflow" -
Add filtering and statistics for the following workflows: - Geometry optimization
- Molecular dynamics
- Phonons
- Elastic constants
- Single point
-
Create more detailed subsection for geometry optimization containing sliders for final_energy_maximum
,final_force_maximum
,final_displacement_maximum
. Ensure that these are created and indexed. -
Optimize terms aggregations by utilizing the ES include-option. With this option, all aggregations that target a subset of a specific metainfo (e.g. the new workflow filter that tries to find relevant definitions within metadata.quantitites
) will be much more optimized as they don't have to gather aggregations for all terms. -
Add the searchable geometry optimization filters ( final_energy_difference
etc.) to be shown in the overview page.
Edited by Lauri Himanen