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Nexus: update to current batched driver style #4246
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Nevermind on the 1RDM issue. The batched 1RDM works; I just had to request the correct orbital count. Ready for review. |
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LGTM
Thanks Jaron.
Q. How long does this take to run? I think several people including yourself have suggested that we start including the examples in our nightly runs or even CI. |
Test this please |
Are you able to reproduce this locally? |
Yes, I can reproduce these. Will fix. The entire battery of Nexus tests takes under a minute on a single core of my 2017 laptop. |
Issues fixed. Ready for review. |
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LGTM
Test this please |
Proposed changes
Support
driver_version
and also currently working estimators for the batched drivers. The sole Nexus example for the batched drivers has been updated (also including Jastrow optimization) and another has been added that includes all currently working estimators: MPC, spin density, and the momentum distribution.What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
Laptop
Checklist