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Update moves.md
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mlund authored Jul 19, 2024
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# Exchange statistics
When a file name is provided as input, an exchange file for each mpi is created. For respective step accepted and rejected attempts of exchange direction are recorded.
If the tempering move was not accepted, the number -1 is recorded. When the tempering move is accepted, the number of the interchanged mpi is recorded.
For example, in the exchange file for mpi2 an accepted temper move with mpi3 will record a 3, meaning the mpi's `2 <-> 3` etc.
In faunus/examples/temper there is a notebook "temper\_exchange\_statistics.ipynb" illustrating how this aquired data can be used to study how the mpi's are exchanged.

When `file` is provided, an exchange file for each MPI rank is created.
For respective step accepted and rejected attempts of exchange direction are recorded.
If the tempering move was rejected, the number -1 is recorded.
When the tempering move is accepted, the number of the interchanged mpi is recorded.
For example, in the exchange file for MPI rank 2 an accepted temper move with rank 3 will record a 3, meaning the mpi's `2 <-> 3` etc.
In `examples/temper/` contains a notebook illustrating how this can be used to study how exchange statistics.


## Volume Move
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