theochem / theochem/grid

Interpolation/differentiation on parallelepiped grids

Open
#242 3 comments 0 reactions 1 assignee View on GitHub

@dhruvDev23 is already working on this.

Since Oct 24, 2025.

future feature good first issue
Dominant language
Python
Stars
101
Forks
40
PR merge metrics
No merged PRs in 30d

Description

Currently our interpolation for "cubic" grids works only when the coordinate axes are orthogonal. We should extend this to non-orthogonal cell vectors.

@Ali-Tehrani I know you had been working on this, so let me know if you, or I, should flesh this issue out with details on how this is achieved.

Contributor guide

Open the contributing guide

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.