AMBER: question about spline in sander -- array size of eed_cub

From: Cordova, Luis E. <>
Date: Fri, 01 Jul 2005 00:33:25 -0400

I have a question regarding the eed_cub spline array initialized one time(?) on the ew_setup routine and then read in the short_ene routine inside the ew_direct.f file. Firstly, where I can find more information about the context of this spline operation?
Secondly, is the size of eed_cub fixed for any calculation, does it depend on the precision or type of run?
Also, is there any easier way to generate this numbers in situ on-the-fly? Will this save cycles of computation?
Many thanks, all kinds of hints are welcome,
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Received on Fri Jul 01 2005 - 05:53:01 PDT
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