[gmx-developers] use of f[] in do_shakefirst

D. Ensign densign at stanford.edu
Fri May 12 06:17:32 CEST 2006


I was wondering, what's the reason for using f[] for what looks like a temporary storage
spot in do_shakefirst()? Would I lose performance if I had a special rvec in
do_shakefirst() for this purpose, instead of using f[]? The reason I ask is, with my
modifications f[] is now a special type, not rvec, and not necessarily the same precision
as rvec.


"Give up learning, and put an end to your troubles." -- Lao Tzu

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