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  • e-cam
  • E-CAM-Library
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  • !270

Add a module about the integration of ELSI-RCI in DFTB+

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Merged Yann Pouillon requested to merge pouillon/E-CAM-Library:new_module_elsi_rci_in_dftb_plus into master Nov 12, 2020
  • Overview 6
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Integration of ELSI-RCI in DFTB+ during the ESL 7 Workshop

Module verification checklist (for reviewers)

Checklist when the module is first submitted

  • Have the relevant labels been added to the MR
  • If submitted on someone elses behalf, has the software author been referenced (if they have a GitLab account)

Checklist when module is no longer "WIP"

  • Is the module documentation sufficiently detailed?
  • Is it mergeable? (i.e., there should be no merge conflicts)
  • Are the build instructions sufficient - source code locations, build instructions, etc.? (If not the MR should be updated)
  • Did it pass the tests that were described? (Are there unit/regression tests? Do they pass?)
  • Are the tests sufficient?
  • If the module introduces new functionality, is it tested? (Unit/regression tests?)
  • Is the associated source code well formatted? (typos, line length, brackets,...it should be consistent with existing source)
  • Is all new source code sufficiently documented? (functions, their arguments,...)
  • Is there a description of any applications the module has? (This is a hard requirement for E-CAM PDRAs)

After Merging

  • Make sure the module appears in a toctree
  • Add a link to the final result on https://e-cam.readthedocs.io
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Source branch: new_module_elsi_rci_in_dftb_plus