Closed SrinivasMushnoori closed 5 years ago
Update: This occurs because an i-i "acceptance" is computed before an i-j "rejection". Fix in progress.
Update: Independence Sampling scheme is now being implemented, that will eliminate this issue.
Addressed in https://github.com/SrinivasMushnoori/repex/commit/3bf98d535f6442096435dcd98402638c37f7946e
Essentially, this is the "correct" exchange scheme. TempEx.py
to be removed.
This is not currently affecting synchronous temperature exchange but absolutely will affect asynchronous (and multidimensional) exchange.
This is the output in
STDOUT
ofTempEx.py
Here theE_diff
is 0 so it does not matter, but could make ALL replicas reject all exchange whenE_diff
is non zero.