diff --git a/src/aiidalab_qe/guides/0_basic.html b/src/aiidalab_qe/guides/0_basic.html index a7c86a8a6..d618bfc54 100644 --- a/src/aiidalab_qe/guides/0_basic.html +++ b/src/aiidalab_qe/guides/0_basic.html @@ -189,24 +189,27 @@

Tasks

Here in the results panel, each tab will open results pertaining to a specific calculation submitted by the workflow.
- See further instructions below in the Structure tab. + See further instructions below in the Relaxed structure tab.
- In the structure results panel, we can view the initial structure selected for - the calculation. The panel is mostly the same as the one we saw in the - structure selection step, with the notable additions of the structure node - info and structure coordinates table. Most importantly, once the structure - relaxation is complete, the toggle button below the title will become active - and allow us to switch between the initial and relaxed structure. + When the calculation is finished, the Load results button will become + active, allowing us to load the relaxation results from AiiDA. The loaded + panel is mostly the same as the one we saw in the structure selection step, + with the notable additions of the structure node info and structure + coordinates table.

Tasks

    +
  1. When active, click on Load results
  2. +
  3. + Note the differences in cell parameters (vector lengths/angles and + volume) and atomic positions +
  4. - Once the calculation is complete, click on the toggle button to switch - between the structure views. Note the differences in cell parameters - (vector lengths/angles and volume) and atomic positions + Compare the results against the initial structure in the structure + selection step at the top of the app
  5. When ready, switch over to the Electronic bands + PDOS panel @@ -251,13 +254,16 @@

    Tasks

    Post-guide exercises

      -
    1. Download the raw input and output files for further analysis
    2. +
    3. Switch back to the Summary panel of the results step
    4. +
    5. Download the raw data (.zip file) for further analysis
    6. This will download a folder hierarchy with all inputs and outputs of calculations submitted by the workflow, allowing you to dig deeper into the data without requiring an AiiDA installation.
      -
    7. Download the AiiDA archive to store the full calculation provenance
    8. +
    9. + Download the AiiDA archive including the full calculation provenance +
    10. The downloaded archive can be imported in any AiIDA/AiiDAlab instance, reproducing the whole dataset as if it was computed on the platform where diff --git a/tests/test_infobox.py b/tests/test_infobox.py index 2d2d725ab..d54f564c5 100644 --- a/tests/test_infobox.py +++ b/tests/test_infobox.py @@ -39,5 +39,5 @@ def test_in_app_guide(): assert in_app_guide.layout.display == "none" guide_manager.active_guide = "general/basic" - in_app_guide = InAppGuide(identifier="guide-warning") + in_app_guide = InAppGuide(identifier="guide-header") assert "You've activated the basic in-app guide" in in_app_guide.children[0].value