QMCPACK / QMCPACK/qmcpack

Refactoring NLPPjob and bug fix needed in NonLocalECPotential in the case of listeners

Open
#5,888 0 comments 0 reactions 0 assignees View on GitHub
Dominant language
C++
Stars
403
Forks
154
Avg merge
1d 13h
Merged PRs (30d)
90

Description

**Describe the bug**
NLPPjob was not a well thought concept. It should be renamed to `VirtualMovesData` or something similar and moved under `src/Particle` as more general feature of `VirtualParticleSet`.

There is a bug at
https://github.com/QMCPACK/qmcpack/blob/8d7710c95ea77eecedbcaa92c2531b07ce996971/src/QMCHamiltonians/NonLocalECPotential.cpp#L403
as discovered by https://github.com/QMCPACK/qmcpack/pull/5864

Contributor guide

Open the contributing guide

Research direction

Start by reading src/QMCHamiltonians/NonLocalECPotential.cpp around line 403 and the changes in pull request 5864 to understand the listener bug. Then trace NLPPjob and VirtualParticleSet, including the src/Particle area, to determine the refactoring scope. Done means the general virtual-move data is relocated and renamed, and the listener case is corrected.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp
Domain
hpc
Issue type
Refactor
Difficulty
5/5
Estimated time
Over a week
Activity status
Quiet
Clarity
Needs clarification
Newbie friendliness
35/100

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