write 3 for loops in each other

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Hamed Nobarani
Hamed Nobarani 2018-9-28
评论： Hamed Nobarani 2019-11-11
I should write the program to get the positions x,y,z (lattice points) and then repeat these positions(lattice cube) in the x,y,z direction with the constant(lattice constant).my code is just working in one direction(x), how can I fix my code to work in all 3 x,y,z directions?
for k=0:o
for j=0:m
for i=0:n
xpp(8*i+1:8*i+8,1)=xp+D*i;
ypp(8*i+1:8*i+8,1)=yp+D*j;
zpp(8*i+1:8*i+8,1)=zp+D*k;
end
end
end
%start
a=importdata('structure.xyz');
xp=a.data(:,1);
yp=a.data(:,2);
zp=a.data(:,3);
n=1;
m=1;
o=1;
xpp=xp;
ypp=yp;
zpp=zp;
for k=0:o
for j=0:m
for i=0:n
xpp(8*i+1:8*i+8,1)=xp+D*i;
ypp(8*i+1:8*i+8,1)=yp+D*j;
zpp(8*i+1:8*i+8,1)=zp+D*k;
end
end
end
fileID = fopen('N.txt','w');
fprintf(fileID,'%s\n','silicon');
fprintf(fileID,'si %f %f %f\n',[xpp,ypp,zpp].');
fclose(fileID);
  1 个评论
JohnGalt
JohnGalt 2018-10-1
what's D? what's the for loop at the start of your question (before '%start')? Can you give an example with some very small amount of data? are trying to create a grid starting from a specific point with a specific separation?

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采纳的回答

Hamed Nobarani
Hamed Nobarani 2019-11-11
编辑：Rik 2019-11-11
I was trying to get the unit cell of the structure which is contain positions of atoms and then expand it in 3 dimensions.
this is my code and answer to this question:
l=0;
s=0;
for k=1:o
for j=1:m
for i=1:n
nb=[xp+D*(i-1),yp+D*(j-1),zp+D*(k-1)];
pp(s+1:s+8,:)= nb;
s=s+8;
l=(l+1);
end
end
end
  2 个评论
Rik
Rik 2019-11-11
The code below is equivalent to what you wrote, but should be slightly faster.
pp=zeros(o*m*n*8,3);%or: pp=zeros([o*m*n 1].*size([xp,yp,zp]))
s=0;
for k=1:o
for j=1:m
for i=1:n
nb=[xp+D*(i-1),yp+D*(j-1),zp+D*(k-1)];
pp(s+1:s+8,:)= nb;
s=s+8;
end
end
end
l=o*m*n;
You should try to avoid l and o as variable names, because they look very similar to 1 and 0. It also looks like it should be possible to do this with meshgrid and reshape, which would avoid the loops.

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更多回答（1 个）

Karun Mathiazhagan
Karun Mathiazhagan 2018-10-3
Hello Hamed,
If my understanding is correct that you wish to create a 3-D grid of points similar to a lattice structure, the following MATLAB Answers post should be of use to you: https://www.mathworks.com/matlabcentral/answers/98191-how-can-i-obtain-all-possible-combinations-of-given-vectors-in-matlab

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