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Pull requests: nanotech-empa/aiida-nanotech-empa

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Pull requests list

Fix/molecule gw
#167 opened Nov 21, 2024 by cpignedoli Loading…
use DZVP basis set for Fe
#165 opened Sep 11, 2024 by cpignedoli • Draft
Start implementing the CubeHandlerCalculation plugin
#163 opened Apr 3, 2024 by yakutovicha • Draft
Update resources allocation for the STM calculation
#159 opened Mar 4, 2024 by yakutovicha Loading…
Feature/general pdos
#146 opened Sep 18, 2023 by cpignedoli • Draft
1
Cp2kDielectricWorkChain
#123 opened Apr 14, 2023 by AndresOrtegaGuerrero • Draft
1
Add vibronic workflow based on gaussian code.
#79 opened Jun 14, 2022 by yakutovicha • Draft
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