Hi Peter,
Yes, there is a way of declaring the boundary conditions. As you know, MAVRIC skips the boundary block ("read bounds ... end bounds") and assumes it is all vacuum. However, MONACO, which is used by MAVRIC for the MC transport calculations, supports the boundary block. What you need to do is keep the temporary directory when running MAVRIC, modify the MONACO input ($TMPDIR/i_monaco), and rerun the MONACO.
Here are the steps:
- run MAVRIC while keeping the TMDIR as: scalerte -m -T tmp mavric.inp
- modify the MONACO input with desired BCs as: open tmp/i_monaco and add "read bounds all=mirror end bounds"
- rerun the MONACO by executing MONACO in the TMPDIR as "cd tmp; monaco < i_monaco > monaco.out"
I hope this helps.
Thanks,
Cihangir