Ecosyste.ms: Issues

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GitHub / aiidateam/aiida-quantumespresso issues and pull requests

#639 - Implement calculation function to create new magnetic kinds

Issue - State: closed - Opened by mbercx almost 4 years ago
Labels: topic/calculations, type/accepted feature

#626 - added qes_030920.xsd from https://github.com/QEF/qeschemas

Pull Request - State: closed - Opened by rikigigi almost 4 years ago - 10 comments

#626 - added qes_030920.xsd from https://github.com/QEF/qeschemas

Pull Request - State: closed - Opened by rikigigi almost 4 years ago - 10 comments

#528 - Fix resource validation in all workchains

Issue - State: closed - Opened by dpshoema over 4 years ago - 4 comments
Labels: type/bug, topic/workflows, topic/documentation

#436 - possible problem in the ``get_scf_accuracy`` tool

Issue - State: open - Opened by d-tomerini about 5 years ago - 6 comments

#353 - Parsing only the XML output (of PW)

Issue - State: open - Opened by borellim over 5 years ago - 3 comments
Labels: topic/parsers

#353 - Parsing only the XML output (of PW)

Issue - State: open - Opened by borellim over 5 years ago - 3 comments
Labels: topic/parsers

#353 - Parsing only the XML output (of PW)

Issue - State: open - Opened by borellim over 5 years ago - 3 comments
Labels: topic/parsers

#328 - `PwBaseWorkChain`: validate the heuristics in the automatic parallelization functionality

Issue - State: closed - Opened by sphuber over 5 years ago - 2 comments
Labels: type/enhancement, topic/workflows, priority/nice to have

#328 - `PwBaseWorkChain`: validate the heuristics in the automatic parallelization functionality

Issue - State: closed - Opened by sphuber over 5 years ago - 2 comments
Labels: type/enhancement, topic/workflows, priority/nice to have

#290 - Add validation for FolderData, RemoteData and SinglefileData type inputs

Issue - State: open - Opened by borellim over 5 years ago
Labels: type/enhancement, topic/calculations, priority/nice to have

#222 - Add HDF5 output compatibility

Issue - State: closed - Opened by borellim almost 6 years ago - 3 comments
Labels: topic/parsers, type/requested feature, priority/nice to have

#201 - QE 6.3 incorrectly prints total wall-time: add workaround?

Issue - State: closed - Opened by borellim about 6 years ago - 1 comment
Labels: discussion required

#201 - QE 6.3 incorrectly prints total wall-time: add workaround?

Issue - State: closed - Opened by borellim about 6 years ago - 1 comment
Labels: discussion required

#121 - Consistency in capitalization of namelists and keys in calculation plugins

Issue - State: open - Opened by sphuber over 6 years ago - 1 comment
Labels: discussion required

#121 - Consistency in capitalization of namelists and keys in calculation plugins

Issue - State: open - Opened by sphuber over 6 years ago - 1 comment
Labels: discussion required

#95 - Output node documentation

Issue - State: open - Opened by broeder-j almost 7 years ago - 8 comments
Labels: discussion required, topic/documentation

#95 - Output node documentation

Issue - State: open - Opened by broeder-j almost 7 years ago - 8 comments
Labels: discussion required, topic/documentation

#37 - Add 'settings' key to store kpoint files in repository when parsing bands

Issue - State: closed - Opened by sphuber about 7 years ago - 2 comments
Labels: topic/parsers, type/requested feature, priority/nice to have

#37 - Add 'settings' key to store kpoint files in repository when parsing bands

Issue - State: closed - Opened by sphuber about 7 years ago - 2 comments
Labels: topic/parsers, type/requested feature, priority/nice to have

#37 - Add 'settings' key to store kpoint files in repository when parsing bands

Issue - State: closed - Opened by sphuber about 7 years ago - 2 comments
Labels: topic/parsers, type/requested feature, priority/nice to have