Nexus: small fix for 1RDM input generation

QMCPACK / qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

http://www.qmcpack.org

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Nexus: small fix for 1RDM input generation #5067

Closed jtkrogel closed 1 week ago

jtkrogel commented 1 week ago

One line fix for 1RDM input generation. Fixes the case when "reuse" is not specified.

Issue reported by @annette-lopez.

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

Bugfix

Does this introduce a breaking change?

What systems has this change been tested on?

Laptop

Checklist

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

prckent commented 1 week ago

Test this please