Multiwfn Jun 2026

Multiwfn’s implementation of Bader’s QTAIM is considered a gold standard for research-grade analysis. It can locate critical points (bond, ring, and cage), calculate atomic charges and volumes, and generate beautiful path diagrams showing bond paths. Unlike some alternatives, Multiwfn gives the user fine-grained control over integration accuracy.

Multiwfn is a standard tool for the Quantum Theory of Atoms in Molecules (QTAIM). It can: multiwfn

| Strengths | Limitations | |-----------|-------------| | Handles almost any wavefunction file format ( .fchk , .molden , .wfn , .cub ). | No native GUI; command-line only. | | Extremely fast and memory-efficient. | Steep learning curve for casual users. | | Unmatched breadth of bonding/aromaticity indices. | Limited built-in visualization (relies on external tools). | | Active development (updates multiple times per year). | Not designed for very large systems (>10,000 atoms without care). | Multiwfn is a standard tool for the Quantum

How to play Aim training game

This aim game is very simple: hit as many targets as you can until time is up! But hurry, targets are shrinking and disappearing. Every time you missclick or let target to shrink away, you lose points.

The targets are customizable: you can change the size of the targets or their decreasing speed. You can also add red bonus targets that will earn you extra points.

Point system in this game:

The history of results is located under the game.

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