QMCPACK / QMCPACK/qmcpack

Jastrow pade2 optimization is misbehaving

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#412 3 comments 0 reactions 1 assignee Claimed by @lshulen View on GitHub
bug optimization stale
Dominant language
C++
Stars
403
Forks
154
Avg merge
1d 12h
Merged PRs (30d)
82

Description

Reported by @lshulen .
During an optimization. The first iteration VMC energy seems correct but the later ones have lower values than they should be capable of variationally.

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