QMCPACK / QMCPACK/qmcpack

qmcfinitesize should be tested

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#3,118 0 comments 0 reactions 2 assignees Claimed by @camelto2 View on GitHub
enhancement testing
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C++
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1d 12h
Merged PRs (30d)
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Description

**Is your feature request related to a problem? Please describe.**

We have a unit test on the SkAll estimator but no integration test for a full run and importantly running the qmcfinitesize tool.

**Describe the solution you'd like**

Find some used-for-science and verified results. Either add directly or adapt to one of our existing systems where we already have the wavefunction files. Consider adding a new deterministic test to ensure this is fast.

I am happy to add the actual test mechanics.

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