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Maurer group documentation

maurergroup/MaurerGroupDocs

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Group handbook
- Induction
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Technical guides
Technical guides
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  Software development and coding
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  Computers and HPC
- Electronic structure
  Electronic structure
  - ASE
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    FHI-aims
    
    Compiling and running
    
    Installing with EasyBuild
    
    ΔSCF / XPS tutorial
  - CASTEP
    CASTEP
    
    Compiling and running
    
    XPS and NEXAFS
    
    DeltaSCF and MolPDOS
  - GPAW
  - VASP
  - ORCA
  - TURBOMOLE
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  - CC4S
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  - Embedding Integral Generator
- Machine learning
  Machine learning
- Visualisation and rendering
  Visualisation and rendering
  - OVITO
  - PyMOL
  - Blender
- Complex research workflows
  Complex research workflows
  - Adaptive ML for gas-surface dynamics
- Experimental surface science Experimental surface science
  Table of contents
  - Maurergroup presentation tutorials
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Contributing

Table of contents

Maurergroup presentation tutorials

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September 19, 2023 January 4, 2023

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