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Nexus: optimize with NLPP derivatives by default #2128

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merged 2 commits into from
Jan 6, 2020

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jtkrogel
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@jtkrogel jtkrogel commented Dec 4, 2019

Update Nexus to write optimization blocks with NLPP derivatives on by default.

This PR depends on the resolution of issue #2083.

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Can one of the admins verify this patch?

@prckent prckent added this to the v3.9.0 Release milestone Jan 6, 2020
@tiihonej
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tiihonej commented Jan 6, 2020

I believe the hold could be lifted, since PR #2179 has been merged already? I tested the update in my own projects and it seems to work correctly.

@prckent prckent changed the title [Hold] Nexus: optimize with NLPP derivatives by default Nexus: optimize with NLPP derivatives by default Jan 6, 2020
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prckent commented Jan 6, 2020

OK to test

@prckent prckent merged commit 569f657 into QMCPACK:develop Jan 6, 2020
@jtkrogel jtkrogel deleted the nx_opt_nlpp branch March 22, 2021 13:30
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5 participants