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Improve default label string for process label #811

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superstar54 opened this issue Sep 26, 2024 · 0 comments · Fixed by #836
Closed

Improve default label string for process label #811

superstar54 opened this issue Sep 26, 2024 · 0 comments · Fixed by #836
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@mikibonacci
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enhancement New feature or request

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@superstar54
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slightly improve default label string "AsGa structure is not relaxed , properties on bands, pdos” as follows:

  • Note: code is here:

    aiidalab-qe/src/aiidalab_qe/app/submission/__init__.py

    Line 365 in 7e45607

    def _update_process_label(self) -> dict:
  • Old string: "AsGa structure is not relaxed , properties on bands, PDOS”
  • New string: “AsGa (not relaxed, fast protocol) + bands, PDOS”
    Strings for other input options:
    • AsGa (relax: atoms+cell, moderate protocol, magnetic) + phonons
    • AsGa (relax: atoms only, precise protocol)
  • Be careful not to leave too many or too few spaces!
  • Note: always capitalize PDOS everywhere in the GUI as well
@superstar54 superstar54 added the enhancement New feature or request label Sep 26, 2024
mikibonacci added a commit to mikibonacci/aiidalab-qe that referenced this issue Oct 2, 2024
@mikibonacci
Process label improved
8f82424 
Following the guidelines in aiidalab#811
@mikibonacci mikibonacci mentioned this issue Oct 2, 2024
Merged
mikibonacci added a commit that referenced this issue Oct 3, 2024
@mikibonacci @pre-commit-ci
Improvement/process labels (#836)
64070e7 
* Process label improved

Following the guidelines in #811

* Minimal test for the process label generation.

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Now structure label will be put instead of formula

The two will coincide if the user does not modify the default label.
Also, if by mistake the user provides an empty label, automatically the job
label will use the structure formula.

* Added tests for label and empty label.

* Modified PDOS checkbox

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
@mikibonacci mikibonacci mentioned this issue Oct 10, 2024
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Improvement/process labels mikibonacci/aiidalab-qe
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@superstar54 @mikibonacci