Properly merge branch to contain MBAR fixes #80
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…ll print multiple times during call to dF_t
MBAR fix to error totals, and workaround when cannot compute statistical inefficiency
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Actually, this is what I thought we were doing as I wanted them to come in as two separate changes. So, this new PR is exactly what I wanted from you. For the record:
This PR moves #79 from the zeroxvg branch into the main branch. |
davidlmobley
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Feb 25, 2016
Fix MBAR uncertainty totals and handle statistical inefficiency calculation when there is zero free energy change at some lambda values (moving #79 into main branch)
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It looks like the branch zeroxvg was merged into master before the MBAR-fix branch was allowed to merge with zeroxvg. Currently, the master branch only contains commits before the the MBAR-fix.