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12 Open 13 Closed
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Issues list

Visualization of 3D / 2D data
#139 opened Jul 21, 2023 by cpignedoli
Improve/upcate cp2k_utils.py
#127 opened Apr 28, 2023 by yakutovicha
string_range_to_list is defined in two places
#126 opened Apr 28, 2023 by yakutovicha
Rewrite cp2k_gw_parser
#125 opened Apr 28, 2023 by yakutovicha
Workflow for 2D materials with SOC (spin orbit coupling) enhancement New feature or request
#99 opened Sep 15, 2022 by cpignedoli
@cpignedoli @AndresOrtegaGuerrero
Workflow to extract TB parameters form DFT for GNR type systems enhancement New feature or request
#98 opened Sep 15, 2022 by cpignedoli
@yakutovicha @cpignedoli @AndresOrtegaGuerrero
Self-hosted runners for the github actions enhancement New feature or request
#97 opened Sep 8, 2022 by cpignedoli
@yakutovicha
1
For magnetic calculation add a check that CG solution is correct. enhancement New feature or request
#96 opened Sep 7, 2022 by yakutovicha
1
Workflow exit codes: keep them consistent and adhere to exit code conventions.
#90 opened Jul 8, 2022 by yakutovicha
2 tasks
@yakutovicha
Deprecate fixed_atoms input. blocked
#89 opened Jul 5, 2022 by cpignedoli
1
@yakutovicha @cpignedoli
1
FragmentSeparationWorkChain: plot of charge difference with pymol blocked
#88 opened Jul 5, 2022 by cpignedoli
@yakutovicha @cpignedoli
1
Test calculations: the results are not actually checked. enhancement New feature or request
#85 opened Jun 28, 2022 by yakutovicha
@yakutovicha
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