unique spline question
Axel
akoh... at gmail.com
Wed Nov 28 23:52:10 UTC 2007
hi all!
i'm currently playing around with options to save memory
for a large QM/MM calculation and i noticed, that when
using the default spline settings or using unique splines
with the recommended epsilon of 1.e-12 the memory
consumption is about the same.
am i comparing apples and oranges here?
since the default epsilon is 1e-7 and of course
if i use a 1.e-12 epsilon without unique splines
enabled memory use explodes.
is there any recommendation what would be the best
way to continue?
thanks,
axel.
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