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- doped Public
doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.
SMTG-Bham/doped’s past year of commit activity - ThermoParser Public
A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials science.
SMTG-Bham/ThermoParser’s past year of commit activity - aiida-user-addons Public
Additonal code and plugins for working with AiiDA. VASP workflows for batteries and more.
SMTG-Bham/aiida-user-addons’s past year of commit activity - High_throughput_search_ABN3 Public
SMTG-Bham/High_throughput_search_ABN3’s past year of commit activity - config-coord-plots Public
SMTG-Bham/config-coord-plots’s past year of commit activity
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