fix npt question

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1

I want to use fix npt to control pressure but I am also using a
position external potential and I don't want the origin of the
simulation box to change. In other words, xhi, yhi, and zhi can
change, but I always want xlo, ylo, and zlo to be 0.0. Is there a way
to do this with fix npt?

Thanks

2

That's not a current option with fix npt, but Aidan
can possibly comment on how difficult it would
be to add.

Steve

3

Hi Stan,

I modifed the remap() function to dilate about an arbitrary fixed point
that can be specified using an optional keyword. Try this out and let me
know if it works.

Aidan

fix_nh.cpp (63.9 KB)

fix_nh.h (7.7 KB)

fix_nh.html (29 KB)

4

Aidan,

This works great--thanks so much!

Stan