Updated: '00/8/12

As I have explained in the question time after the examination, there is a critial correction about the long-range correction of pressure calculation.

As in the assignment of the report, the long-range
correction was not included in pressure calculation
with press.exe. And, the long-range correction
was to be done by yourself. Then, you may
think the cut-off radius r_{c} should be 2.5 sigma as in periodic.dat used
for periodic2.exe calculation. However, if
you investigate the pressure calculation
program press.for, you will find that the
cut-off radius for the calculation of pressure
was not as described as in periodic.dat.
The press.for use the cut-off radius of half
of box size so that you can more efficiently
calculate the pressure. Then, the long-range
correction for pressure you need to give
must be the half of the box size.

I am sorry for not explaining the above point. Some of students have done simulations with large box size and found that they can get better agreement without the long-range correction. This was because the long-range correction should be very small with the large cut-off radius.

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