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mw_XXXWithSpin APIs needed for MSD wave functions

Open camelto2 opened this issue 2 years ago • 0 comments

Is your feature request related to a problem? Please describe. Currently, mw_ APIs aren't implemented including the spin gradients. If MSD are used in batched code with spinors, evaluation will fall back to the single walker APIs.

Describe the solution you'd like Implement mw_evalGradWithSpin and mw_ratioGradWithSpin in MultiSlaterDetTableMethod and related in MultiDiracDeterminant.

Describe alternatives you've considered N/A

Additional context N/A

camelto2 avatar May 04 '23 21:05 camelto2