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Nexus: better error handling for bad Jastrow requests #3554

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merged 2 commits into from
Oct 23, 2021

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jtkrogel
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Proposed changes

Add error guards when Jastrows are requested by the user inappropriately (e.g. J2 when there is only one electron).

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?

Laptop

Checklist

  • Yes. This PR is up to date with current the current state of 'develop'

@qmc-robot
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Can one of the admins verify this patch?

@ye-luo
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ye-luo commented Oct 22, 2021

Did QMCPACK stop you? To check if we are missing any user error trap.

@jtkrogel
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Nexus hit an internal error before the input file was generated.

@ye-luo
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ye-luo commented Oct 22, 2021

Test this please

@ye-luo ye-luo enabled auto-merge October 22, 2021 21:49
@ye-luo ye-luo merged commit 38bcf10 into QMCPACK:develop Oct 23, 2021
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3 participants