[gmx-developers] lookup table in invsqrt algorithm

Haiqing Zhao haizhao at mtu.edu
Wed May 18 07:43:32 CEST 2011


Hi, 

Yes, I have studied that part for several days, and understand the skills Gromacs use in designing the two tables. But how to produce the Lookup table. I still did not get any idea.
Thanks.
Haiqing


On May 17, 2011, at 11:51 PM, Mark Abraham wrote:

> On 18/05/2011 1:30 PM, Haiqing Zhao wrote:
>> Hello, all,
>> 
>> Does anybody know gmx_software_invsqrt work? I mean the algorithm. I found the code is in "vec.h" in "include" folder. But I have no idea of how lookup table is produced. There are two: exptab, and fracttab. It uses the space very well.
>> I hope you could give me some hint.
> 
> See manual appendix B.3
> 
> Mark
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