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Nexus: updates for Quantum Package 2.0 #1538

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merged 11 commits into from Apr 8, 2019

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@jtkrogel
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commented Apr 8, 2019

Update Nexus to interact with version 2.0 of Quantum Package. This was a major change in the QP source and user input.

Also add a user example for Quantum Package: running Hartree-Fock on a water molecule.

@ghost ghost assigned jtkrogel Apr 8, 2019

@ghost ghost added the in progress label Apr 8, 2019

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commented Apr 8, 2019

Can one of the maintainers verify this patch?

@grahamlopez

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commented Apr 8, 2019

Okay to test

@ye-luo

ye-luo approved these changes Apr 8, 2019

@ye-luo ye-luo merged commit a6cdc43 into QMCPACK:develop Apr 8, 2019

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@ghost ghost removed the in progress label Apr 8, 2019

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