Bad Variance in LCAO code for single det calculation after long run
Open
bug
- Dominant language
- C++
- Stars
- 403
- Forks
- 154
- Avg merge
- 1d 12h
- Merged PRs (30d)
- 82
Description
Energy starts diverging after long runs (or large number of walkers) with unexplicable behavior.
This is the test case from Ken Jordan.
https://anl.box.com/s/64if0d8tuwonibaifbzgjgcpnrudq2un
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