Skip to content

Conversation

@andthum
Copy link
Owner

@andthum andthum commented Dec 7, 2022

[Feat]: New Job Script energy_dist.sh

Type of Change

  • Bug fix.
  • New feature.
  • Code refactoring.
  • Dependency update.
  • Documentation update.
  • Maintenance.
  • Other: Description.
  • Non-breaking (backward-compatible) change.
  • Breaking (non-backward-compatible) change.

Proposed Changes

Create a Slurm job script that launches the MDTools script plot_ener_dist.py.

PR Checklist

  • I followed the guidelines in the Developer's Guide.
  • New/changed code is properly tested.
  • New/changed code is properly documented.
  • New/changed features are tracked in CHANGELOG.rst.
  • The CI workflow is passing.

Create a Slurm job script that launches the MDTools script
`plot_ener_dist.py`.
Define a new reStructuredText substitution `|edr_file|` linking to the
documentation of this file format.
Incorporate the Slurm job script `energy_dist.sh` into the Python submit
script `submit_mdt_analyses_lintf2_ether.py`.
@github-actions github-actions bot added enhancement New feature or request minor Change that results in a new minor version labels Dec 7, 2022
@andthum andthum merged commit 3357fce into main Dec 7, 2022
@andthum andthum deleted the feat/analysis/lintf2-ether/mdt/energy-dist branch December 7, 2022 13:23
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

enhancement New feature or request minor Change that results in a new minor version

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants