pyscf / pyscf/gpu4pyscf

CoupledCluster Support

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feature request
Dominant language
Cuda
Stars
351
Forks
84
Avg merge
3d 2h
Merged PRs (30d)
35

Description

Should we expect coupled-cluster support any soon?

Contributor guide

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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

No files, tests, or entry points are named, and the issue is phrased as a timeline question. First establish the project's current GPU coverage and the PySCF coupled-cluster entry points; a concrete scope and acceptance test are needed before implementation can begin.

Written by the indexing model from the issue text.

Assessment

Domain
performance
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
15/100

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