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Nexus: add override_vp_parameters element #4245

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merged 2 commits into from
Sep 17, 2022

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jtkrogel
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Proposed changes

Adds read/write support for the <override_variational_parameters/> xml element (also the winner for longest name in QMCPACK input history :-) ).

This restores functioning for Nexus workflows involving Jastrow optimization (which do not need this element). Restoration of function for multidet wavefunction optimization will be done in a later PR.

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'

@ye-luo
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ye-luo commented Sep 16, 2022

Test this please

@prckent
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prckent commented Sep 16, 2022

Test this please

@ye-luo ye-luo merged commit 583596c into QMCPACK:develop Sep 17, 2022
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3 participants