theochem / theochem/grid

Poisson Solver initial value problem implementation is not robust.

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

Description

The current boundary-value-problem for the Poisson solver is pretty robust. The initial value problem is a lot less robust.

It's a good first issue to try to make this work more efficiently. I will post some notes on how to do this.

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.

Research direction

Start by locating the Poisson solver's initial-value-problem implementation and comparing it with the more robust boundary-value-problem path. Review the issue author's promised notes before choosing an approach; done means the initial-value solver is more robust and efficient, with behavior verified against the existing solver tests if available.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
backend
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Quiet
Clarity
Needs clarification
Newbie friendliness
35/100

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