NWChemEx / NWChemEx/TensorWrapper

Complex/Real Symmetry

Open
#132 0 comments 0 reactions 0 assignees View on GitHub

Nobody has claimed this yet.

Dominant language
C++
Stars
0
Forks
0
Avg merge
5h 33m
Merged PRs (30d)
6

Description

Recent discussions pointed out that another point of equation simplification comes from whether or not terms are real vs. complex. In an ideal world, we'd write down the complex forms of the equations and the tensor would "do the right thing" if the terms are actually real. I haven't thought about this in much detail, but I suspect this shouldn't be too hard if we have permutational symmetry already.

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

The issue names no files, tests, or entry points. Start by locating the existing permutational-symmetry implementation and its tests, then review how the tensor represents real and complex terms. The expected behavior and completion criteria need to be defined before implementation can begin.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp
Domain
backend
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.