aiidalab/aiidalab-qe

Issues

• Case sensitive filenames breaks in case insensitive filesystems.

  #756 opened 6 months ago by mikibonacci
  1

• Walltime doesnt apply to plugin (vibroscopy)

  #754 opened 6 months ago by AndresOrtegaGuerrero
  1

• Rename `QuantumESPRESSO` to `Quantum ESPRESSO`

  #753 opened 6 months ago by superstar54
  0

• Acknowledgements for projects

  #749 opened 6 months ago by mikibonacci
  0

• nsteps widget

  #748 opened 6 months ago by AndresOrtegaGuerrero
  0

• External plugin (aiidalab qe vibroscopy) cant be install in ARM64

  #745 opened 6 months ago by AndresOrtegaGuerrero
  13

• Adding an upload button to setup computer and codes

  #747 opened 6 months ago by mikibonacci
  0

• App crashes if dos.x code is not on the same computer of pw.x

  #746 opened 7 months ago by mikibonacci
  0

• Time estimation to run a given simulation

  #737 opened 7 months ago by mikibonacci
  1

• Time report for each sub WorkChain

  #736 opened 7 months ago by mikibonacci
  1

• Add SOC to the core

  #689 opened 7 months ago by superstar54
  0

• Add Wannier plugin

  #690 opened 8 months ago by superstar54
  1

• Controlling the walltime of calculations

  #709 opened 7 months ago by AndresOrtegaGuerrero
  3

• Adding more QE codes into the default stored ones

  #739 opened 7 months ago by mikibonacci
  1

• Plugin list should install external as pip install --user

  #742 opened 7 months ago by AndresOrtegaGuerrero
  0

• Automatic parallelization settings

  #738 opened 7 months ago by mikibonacci
  0

• Handling Molecules

  #734 opened 7 months ago by AndresOrtegaGuerrero
  3

• Docker image for fast launch

  #735 opened 7 months ago by superstar54
  0

• Include Bands projections

  #732 opened 7 months ago by AndresOrtegaGuerrero
  0

• Exclude all other plugins when select the HP plugin

  #731 opened 7 months ago by superstar54
  0

• Job List not displaying, Checkbox instance expected a unicode string, not the float nan

  #726 opened 7 months ago by AndresOrtegaGuerrero
  3

• Issue in optimade provider selection

  #727 opened 7 months ago by mikibonacci
  0

• New release fail the docker stack test on arm64, something wrong with pip install pymatgen

  #723 opened 8 months ago by unkcpz
  5

• Improve code setup

  #724 opened 7 months ago by danielhollas
  1

• crash when select a new structure after confirmed step1

  #719 opened 8 months ago by superstar54
  0

• HubbardStructureData arent reachable in the AiiDA database widget

  #716 opened 8 months ago by AndresOrtegaGuerrero
  0

• Make the job list page pretty

  #717 opened 8 months ago by superstar54
  0

• Export / Import Buttons (Sharing Data within QeApp)

  #665 opened 9 months ago by AndresOrtegaGuerrero
  0

• Add a good test for QeAppWorkChain

  #645 opened 9 months ago by superstar54
  0

• Rearrange the home page logo and Utils text

  #679 opened 8 months ago by superstar54
  0

• Allow user to edit the builder before submit.

  #673 opened 8 months ago by superstar54
  0

• udpate page footer

  #705 opened 8 months ago by superstar54
  1

• Codes are not automatically selected

  #698 opened 8 months ago by unkcpz
  0

• Plugin management page only show the first author

  #696 opened 8 months ago by superstar54
  0

• Code setup fail

  #693 opened 8 months ago by superstar54
  0

• Job list page error if there is not jobs

  #691 opened 8 months ago by superstar54
  0

• Use `options` to set the `resources` of the builder

  #682 opened 8 months ago by superstar54
  0

• Add `running` state in job search page

  #678 opened 8 months ago by superstar54
  0

• Add support for charge density

  #677 opened 8 months ago by superstar54
  0

• Support group jobs

  #671 opened 8 months ago by superstar54
  0

• Sharing Results from aiidalab_qe between users

  #664 opened 8 months ago by AndresOrtegaGuerrero
  2

• Add support for aiida-quantumespress-hp

  #639 opened 9 months ago by superstar54
  0

• `clean_workdir` failed for plugins

  #666 opened 9 months ago by superstar54
  0

• Tell people to check tabs when they activate the property checkboxes

  #662 opened 9 months ago by superstar54
  0

• Get valence from pseudo potential

  #661 opened 9 months ago by superstar54
  2

• Set default code error

  #659 opened 9 months ago by superstar54
  0

• Use QEApp in a normal Jupyter-lab environment without container

  #658 opened 9 months ago by superstar54
  0

• Add test for latest and oldest support aiida-core version

  #638 opened 9 months ago by unkcpz
  0

• Feedback from user on XPS plugin

  #641 opened 9 months ago by superstar54
  0

• Slow pip installation when upgrading from older QeApp version

  #640 opened 9 months ago by danielhollas
  6