Improvements of Full Pfaffian Computation #38
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xrq-phys
commented
Aug 24, 2022
xrq-phys
commented
- Discontinue Pfaffine. We're still using Pfapack77.
- Pfapack77 has its backend (optionally) substituted into GEMMT provided by BLIS, MKL or ReLAPACK.
- Pfapack77's LTL/UTU decomposition is directly converted into M's invert matrix. Calling GETRF/GETRI is unnecessary.
- Pull headers from old Pfaffine + Add Pfapack77 linkage + Complete GEMMT + Add LAPACK linkage - Adapt PfUpdates - Remove boost C++ from PfUpdates - Remove Pfaffine from mVMC
Code commented out.
Not yet complete.
This reverts commit df6db67.
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Thanks so much! |
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