Ecosyste.ms: Issues

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GitHub / JuDFTteam/aiida-kkr issues and pull requests

#57 - removing deprecated plugins aiida.work

Pull Request - State: closed - Opened by RubelMozumder about 4 years ago

#56 - Update calculations.rst

Pull Request - State: closed - Opened by RubelMozumder about 4 years ago - 1 comment

#55 - Improve documentation and tests

Issue - State: closed - Opened by PhilippRue about 4 years ago

#54 - Bandstructure wf

Pull Request - State: closed - Opened by RubelMozumder about 4 years ago

#53 - finish bandstructure workflow implementation

Pull Request - State: closed - Opened by PhilippRue about 4 years ago

#52 - Implement a switch to not retrieve kkrflex_green and tmat files and improve plot_kkr

Pull Request - State: closed - Opened by PhilippRue about 4 years ago - 3 comments
Labels: enhancement

#51 - Revert "Bandstructure wf"

Pull Request - State: closed - Opened by RubelMozumder about 4 years ago

#49 - Revert 47 bandstructure wf

Pull Request - State: closed - Opened by RubelMozumder about 4 years ago

#48 - Revert "Bandstructure wf"

Pull Request - State: closed - Opened by RubelMozumder about 4 years ago

#47 - Bandstructure wf

Pull Request - State: closed - Opened by RubelMozumder about 4 years ago

#46 - Are magnetic host simulations properly parsed?

Issue - State: open - Opened by JPchico about 4 years ago - 7 comments

#45 - Bandstructure wf

Pull Request - State: closed - Opened by RubelMozumder about 4 years ago

#44 - Add files via upload

Pull Request - State: closed - Opened by RubelMozumder about 4 years ago

#43 - Should one add Band Structure and Jij's workchains?

Issue - State: closed - Opened by JPchico about 4 years ago - 14 comments

#41 - Allowing SGE schedulers to use the plugin

Pull Request - State: closed - Opened by JPchico about 4 years ago - 3 comments

#40 - Serial is always assumed in `start_voro`

Issue - State: closed - Opened by JPchico about 4 years ago - 8 comments

#39 - Further cmdline features to implement

Issue - State: open - Opened by broeder-j about 4 years ago - 5 comments

#38 - Provide initial layout of aiida-kkr cmdline (CLI)

Pull Request - State: closed - Opened by broeder-j about 4 years ago

#34 - Implement `base_restart` for KKRcalculation to fix known / common issues

Issue - State: open - Opened by PhilippRue almost 5 years ago - 7 comments
Labels: enhancement

#29 - allow to control temperature increase in `kkr_scf_wc`

Issue - State: closed - Opened by PhilippRue almost 5 years ago
Labels: enhancement

#27 - We implicitly assume no `alat_input` is given

Issue - State: closed - Opened by PhilippRue almost 5 years ago

#26 - Box too small for 2D structures

Issue - State: closed - Opened by PhilippRue almost 5 years ago - 2 comments
Labels: bug

#20 - aiida-kkr uses only the `v+ + v-` rms error for convergence checks

Issue - State: closed - Opened by PhilippRue over 5 years ago - 2 comments
Labels: bug, critical

#8 - Updating parameters in kkr_scf_wc workflow only accepts kkrparams-like input

Issue - State: closed - Opened by PhilippRue over 6 years ago
Labels: enhancement

#3 - Separate default options from workflow defaults

Issue - State: closed - Opened by PhilippRue over 6 years ago
Labels: enhancement

#1 - Change in aiida structure, use element X for empty spheres in plugin and structure manipulation

Issue - State: closed - Opened by broeder-j over 6 years ago
Labels: enhancement, good first issue