pyiron/pyiron_contrib

Issues

• HandyMan: TimeoutTool cannot handle incomplete tar files

  #1077 opened 6 months ago by pmrv
  0

• Tests failing: pymatgen?

  #1074 opened 6 months ago by liamhuber
  4

• HandyMan: Add tool to use less cores if no electronic convergence is achieved

  #1062 opened 7 months ago by pmrv
  0

• Handyman: Add docstring

  #1022 opened 8 months ago by pmrv
  0

• Tinybase: jobs notebook fails

  #969 opened 10 months ago by niklassiemer
  1

• Atomicrex interface broken with read_only

  #970 opened 10 months ago by Leimeroth
  6

• Missing deps in conda package

  #551 opened 2 years ago by pmrv
  1

• TinyBase: Status and Roadmap

  #766 opened a year ago by pmrv
  5

• Graphs in python

  #575 opened a year ago by jan-janssen
  1

• Tinybase: Basic.ipynb throwing an error

  #677 opened a year ago by liamhuber
  9

• Recognize output without specifying function

  #864 opened a year ago by samwaseda
  4

• New feature list for workflows

  #855 opened a year ago by JNmpi
  1

• Some workflow classes not getting `_repr_json_` triggered

  #659 opened a year ago by liamhuber
  3

• Better names for composite workflow IO

  #817 opened a year ago by liamhuber
  0

• :bug: Upstream-most should have _context_

  #809 opened a year ago by liamhuber
  0

• :bug: [minor] Composites not getting coloured background

  #808 opened a year ago by liamhuber
  1

• Suggestions and issues for the workflow class

  #756 opened a year ago by JNmpi
  21

• JSON repr not always working

  #804 opened a year ago by liamhuber
  2

• Node granularity - When do we consider a node to be macro?

  #764 opened a year ago by mbruns91
  9

• Workflow: Workflows and Nodes need a common ancestor

  #726 opened a year ago by liamhuber
  9

• Workflow: Why can't `Node` have a `working_directory`

  #744 opened a year ago by liamhuber
  6

• Scipy dropped 3.8

  #783 opened a year ago by liamhuber
  8

• Workflow: Automatic parsing of outputs

  #717 opened a year ago by samwaseda
  7

• ShellTask as a template for Shell Nodes

  #789 opened a year ago by pmrv
  1

• Save pickle protocol together with pickled data

  #791 opened a year ago by pmrv
  0

• :bug: Node package updates incomplete

  #771 opened a year ago by liamhuber
  1

• Workflow: `ready`, `connected`, `fully_connected` and more?

  #746 opened a year ago by samwaseda
  2

• meta discussion: sub-module tags?

  #747 opened a year ago by liamhuber
  1

• Add a `NotData` class to initialize data channel values

  #752 opened a year ago by liamhuber
  0

• Should every node run to get the output in workflow?

  #688 opened a year ago by samwaseda
  20

• Concepts and ideas for a node-based pyiron applied to file-based executables

  #702 opened a year ago by JNmpi
  1

• protocol neb issue with different versions of VASP

  #694 opened a year ago by sinazadeh
  16

• How can I get the output in workflow?

  #674 opened 2 years ago by samwaseda
  3

• Coscine: Creating Resources fails

  #701 opened 2 years ago by pmrv
  0

• Make randspg a real dependency

  #672 opened 2 years ago by liamhuber
  3

• the randspg job has no warning that it fails for windows

  #670 opened 2 years ago by liamhuber
  6

• `atomistics.BulkStructure` to `atomistics.bulk_structure`?

  #673 opened 2 years ago by samwaseda
  1

• Unpin scikit-image

  #653 opened 2 years ago by liamhuber
  0

• Tests fail due to pyiron_atomistics and scikit_image conflict

  #651 opened 2 years ago by liamhuber
  0

• LammpsInteractiveWithoutOutput broken

  #608 opened 2 years ago by liamhuber
  4

• MEAMFit: Should implement PotentialFit

  #495 opened 2 years ago by pmrv
  2

• AtomicRex jobs break when structure identifier in training data contains '/'

  #423 opened 2 years ago by pmrv
  3

• TrainingContainer should keep track parameters used to generate stored quantities

  #550 opened 2 years ago by pmrv
  0

• MLIP: TrainingContainer with no stresses defined potentially still broken

  #450 opened 2 years ago by pmrv
  0

• readthedocs not updated

  #447 opened 2 years ago by pmrv
  7

• TrainingContainer.{add_structure,include_strucutre} are confused about `name` vs. `identifier`

  #422 opened 2 years ago by pmrv
  1

• Where to put Example notebooks that should not be part of the CI?

  #419 opened 3 years ago by pmrv
  2

• TrainingContainer doesn't save neighbor information correctly when using input parameters

  #421 opened 3 years ago by pmrv
  0

• Convert PacemakerJob from GenericParameters to DataContainer

  #420 opened 3 years ago by pmrv
  0

• Unit test broken with new pyiron_base

  #215 opened 3 years ago by niklassiemer
  3