Materials Cloud fermisurface visualiser

This repository contains

• ./convert-bxsf - a python package that allows conversion from a single bxsf file to a web-friendly json file.
• ./fermisurface-vis - the javascript package to visualise the json file.

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Usage (Vanilla JS)

import { FermiVisualiser } from "fermisurface-visualiser";

const data = await fetch("./path/to/your/data.json").then((r) => r.json());

// Grab a div where you want the plot:
const container = document.getElementById("plot");

// Create visualiser defaults to fermilevel.
const vis = new FermiVisualiser(container, data);

// update the plot
vis.update(newFermiEValue);

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Development

npm install
npm run dev

# GOTO http://localhost:5173/
# The data.json inside public will be read.

Development notes and TODOS

• These cleaved meshes are significantly reduced in size (1/10th the previous), maybe these could be cached and loaded from a backend (via some expensive pipeline), this also means that loading them from the visualisercache is a little faster...

Testing on 100x100x100 grid - performance notes etc.

• Debouncing is a free feature that could be tuned to proportionally to the size of the data array.

  • Alternative is a 'Go' button that does the recalculation only then...
  • Some how offloading mesh calculation to a webworker through wasm (or even just a generic webworker) would be amazing but hard
  • Low-resolution - could do the live updates, while the high resolution churns away in the background
    • Crazy idea would be to have the highresolution mesh calculate on the backend and be able to be fetched'

• Post process mesh optimization may make better meshes (at potentially little overhead.)

• Possible future improvements:

  • “Recalculate” button instead of live update
  • Low-resolution preview that updates quickly, with full-res in background