FICHA · AUR

dftd4

A Generally Applicable Atomic-Charge Dependent London Dispersion Correction

  • App
  • CLI
  • Dev
  • Launchable
  • Runs in terminal
official+codex · reviewed · May 31, 2026 description in en

Description

London dispersion corrections can be calculated for quantum chemistry and materials simulations that need the D4 model. It is useful for researchers improving noncovalent interaction estimates in computational workflows.

This is a scientific command-line tool or library component. Correct use depends on compatible input data and knowledge of the chosen electronic-structure method.

How to run

dftd4

Commands: dftd4

Permissions

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