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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Introduce DiracMatrixInverter abstraction #5065

Closed ye-luo closed 1 week ago

ye-luo commented 1 week ago

Proposed changes

Introduce DiracMatrixInverter base class to avoid exposing all the inverters via DiracDeteriminantBatched.h

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

Does this introduce a breaking change?

What systems has this change been tested on?

epyc-server

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