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Efield implementation for xTB#3883

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juerghutter merged 9 commits intocp2k:masterfrom
juerghutter:CURRENT
Jan 22, 2025
Merged

Efield implementation for xTB#3883
juerghutter merged 9 commits intocp2k:masterfrom
juerghutter:CURRENT

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Missing functionality:

  • Stress tensor for gfn0-xTB
  • Displacement fields

@juerghutter juerghutter merged commit abdbd49 into cp2k:master Jan 22, 2025
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BelizSertcan pushed a commit to BelizSertcan/cp2k that referenced this pull request Feb 5, 2026
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