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Adjust parsing legacy input when sposets are implicitly inside determiants#5461

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ye-luo merged 3 commits intoQMCPACK:developfrom
ye-luo:adjust-input-parsing
Apr 25, 2025
Merged

Adjust parsing legacy input when sposets are implicitly inside determiants#5461
ye-luo merged 3 commits intoQMCPACK:developfrom
ye-luo:adjust-input-parsing

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@ye-luo ye-luo commented Apr 24, 2025

Proposed changes

This PR changed how the legacy input was consumed. No change to the input.
I moved spsoet creation outside the determinant parsing/creation.
I also noticed that input tests were not exactly mimicking legacy. So I adjusted them.
There is one benefit. There was a bug that code crash if a requested sposet name cannot be found.
This PR will report a clean user error message.

What type(s) of changes does this code introduce?

  • Bugfix

Does this introduce a breaking change?

  • No

What systems has this change been tested on?

epyc-server

Checklist

    • I have read the pull request guidance and develop docs
    • This PR is up to date with current the current state of 'develop'
    • Code added or changed in the PR has been clang-formatted

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ye-luo commented Apr 25, 2025

Test this please

@ye-luo ye-luo enabled auto-merge April 25, 2025 01:19
@ye-luo ye-luo merged commit 6908fdd into QMCPACK:develop Apr 25, 2025
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@ye-luo ye-luo deleted the adjust-input-parsing branch April 27, 2025 03:04
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2 participants