QMCPACK / QMCPACK/qmcpack

Stress not OK with SoA

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#970 3 comments 0 reactions 1 assignee Claimed by @rcclay View on GitHub
bug force
Dominant language
C++
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403
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154
Avg merge
1d 12h
Merged PRs (30d)
82

Description

Preliminary spelunking into StressPBC.cpp indicates that the distance table calls will have to be updated to SoA. Currently crashes when computing the ion-ion contribution because of use of an SoA distance table for the ions. Not hard to fix.

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