Magnetization Density Estimator #4531
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camelto2
reviewed
Mar 27, 2023
markdewing
reviewed
Apr 4, 2023
| psi0=eval_det(R,spins,kup,kdn) | ||
| ratios=np.zeros(ngrid) | ||
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| sxgrid=np.zeros(ngrid,) |
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Good catch! I'll double check that script.
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Took a while, but fixed. Reference value generation runs.
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Status? |
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Just need someone to approve it. |
markdewing
approved these changes
Apr 10, 2023
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Test this please |
Merged
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Please review the developer documentation
on the wiki of this project that contains help and requirements.
Proposed changes
This implements a magnetization density estimator for non-collinear spin calculations. The formalism and use is already documented in the manual. Compatible only with the new estimator framework and batched drivers.
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
Intel Xeon, RHEL7
Checklist
Update the following with a yes where the items apply. If you're unsure about any of them, don't hesitate to ask. This is
simply a reminder of what we are going to look for before merging your code.