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Revisions

  • Updated build_adsorb.py (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    3b0207c
  • Updated gen_poscar.py (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    a4b9e68
  • Updated analyze_poscar.py (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    77155e3
  • Updated analyze_poscar.py (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    38fec5a
  • Updated analyze_poscar.py (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    2d884eb
  • Updated Simulation of STM Images (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    1275e58
  • Updated Core Level (Shifts) (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    3a9b028
  • Updated Bader Charges (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    3f7a5ff
  • Updated Density of States (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    2c2a538
  • Updated Density of States (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    b9a86e7
  • Updated Normal Modes and IR Spectrum (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    a833d38
  • Updated Ab Initio Molecular Dynamics (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    b058eda
  • Updated Ab Initio Molecular Dynamics (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    3735c0e
  • Updated Geometry Optimization (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    c242909
  • Updated Description of Input Files (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    814980a
  • Updated _Sidebar (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    76b619f
  • Updated Home (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    5c40851
  • Updated Simulation of STM Pictures (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    3cf3b3b
  • Updated _Sidebar (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    7918c48
  • Created _Sidebar (markdown)

    @Trebonius91 Trebonius91 committed Sep 2, 2025
    4b9c732
  • Updated Home (markdown)

    @Trebonius91 Trebonius91 committed Sep 1, 2025
    5511092
  • Created check_geoopt.py (markdown)

    @Trebonius91 Trebonius91 committed Sep 1, 2025
    b0a86e0
  • Updated Home (markdown)

    @Trebonius91 Trebonius91 committed Sep 1, 2025
    596743e
  • Updated manage_neb.py (markdown)

    @Trebonius91 Trebonius91 committed Sep 1, 2025
    62431b7
  • Updated analyze_dft (markdown)

    @Trebonius91 Trebonius91 committed Sep 1, 2025
    94e164d
  • Updated analyze_dft (markdown)

    @Trebonius91 Trebonius91 committed Sep 1, 2025
    fe9c522
  • Updated analyze_dft (markdown)

    @Trebonius91 Trebonius91 committed Sep 1, 2025
    1e9b54c
  • Created analyze_dft (markdown)

    @Trebonius91 Trebonius91 committed Sep 1, 2025
    cc1ca46
  • Updated analyze_md (markdown)

    @Trebonius91 Trebonius91 committed Sep 1, 2025
    67819e0
  • Updated analyze_md (markdown)

    @Trebonius91 Trebonius91 committed Sep 1, 2025
    592e64a