Hi Jmolers,
I need to find the nearest atom(s) to a given point. What I can think of is the
following:
[pseudocode]
get atoms within a 1*1 boundbox
if ( some atoms are found) {
return these atoms;
stop;
} else {
get atoms within a 2*2 boundbox;
if ( some atoms are found) {
return these atoms;
stop;
else {
......
}
}
[/pseudocode]
The searching stops at 5*5, since I am not interested in something that far
away.
Is there a better way to do this?
Thank you.
Yingjie
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