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WC doesn't get resubmitted after atoms crash into each other
bug
maintenance
topic/workflows
#205
opened Mar 23, 2023 by
RobinHilg
WC doesn't get resubmitted for atoms spilling in vacuum
bug
maintenance
topic/workflows
#204
opened Mar 19, 2023 by
RobinHilg
DOS not plottable after calculation using plot_fleur()
bug
maintenance
topic/aiida-v2
#203
opened Mar 16, 2023 by
RobinHilg
SCF Workchain: New AiiDA feature - Finish convergence via monitors
enhancement
topic/workflows
#200
opened Dec 14, 2022 by
janssenhenning
2 of 3 tasks
Convergence Strategies SCF Workchain
enhancement
topic/workflows
#199
opened Nov 10, 2022 by
janssenhenning
Support for charge density manipulations
enhancement
topic/fleurplugin
#198
opened Oct 31, 2022 by
janssenhenning
2 tasks
Revisit magnetic structure inputs
discussion
enhancement
topic/Inpgenplugin
#197
opened Sep 22, 2022 by
janssenhenning
Improve regression test maintainability
maintenance
topic/test-system
Issues related to the testing of aiida-fleur
#155
opened Feb 21, 2022 by
janssenhenning
5 of 10 tasks
More userfriendly Workchain outputs
question
topic/workflows
#148
opened Nov 5, 2021 by
janssenhenning
SCF workchain with inpgen and fleur code on different computers
bug
topic/workflows
#135
opened Aug 13, 2021 by
janssenhenning
Expand regression tests
discussion
enhancement
topic/workflows
#130
opened Jul 8, 2021 by
janssenhenning
11 of 16 tasks
Using aiida-fleur with develop versions of Fleur
discussion
topic/FleurinpData/Modifier
#128
opened Jun 22, 2021 by
janssenhenning
Merge strain workchain and banddos workchain
discussion
enhancement
maintenance
topic/workflows
#125
opened Jun 2, 2021 by
broeder-j
More flexibility in Kind names, at least should not fail.
bug
enhancement
topic/Inpgenplugin
#113
opened Apr 14, 2021 by
broeder-j
What is missing in the scf wc ouput node?
discussion
enhancement
#100
opened Nov 30, 2020 by
broeder-j
1 of 2 tasks
further cmdline features requested
discussion
enhancement
#99
opened Nov 23, 2020 by
broeder-j
1 of 9 tasks
Implement validator functions for Dict inputs in Processes
discussion
enhancement
#81
opened Feb 21, 2020 by
Tseplyaev
11 tasks
SCF workchain should update options when _handle_not_enough_memory took place
#77
opened Feb 18, 2020 by
Tseplyaev
What is missing/improvable in the aiida-fleur documentation:
topic/Documentation
#75
opened Jan 31, 2020 by
broeder-j
2 of 5 tasks
EOS Workchain optimation of all lattice parameters, extent to non cubic systems
discussion
enhancement
topic/workflows
#74
opened Jan 30, 2020 by
broeder-j
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