[gmx-developers] Replacing float and double in gromacs.

Christian Mötzing christian at moetzing.net
Fri Oct 1 16:43:23 CEST 2010

Hi, for my thesis I'm trying to replace float and double in Gromacs with
an own type. During compilation real is typedef to float or double. But
there are still a few places where double or float is explicitly used.
Sometimes this happens in functions with pre- or postfix s/d. As I
understand these are double and single functions, right? Are d-functions
really only used if compiled with double precision?
If found at least one instance where a comment states that double is
used for greater accuracy. If I compile gromacs in single precision this
makes sense. Would it be a big impact if those places where compiled
with single precision as well?

I appreciate all comments and opinions.


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