In the following sample. The result of the graphic is one point What is wrong here please
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energy = energy + deltaE;
for A = 1:nPart
th=A*L;
end
plot(energy,A,'b*')
xlabel('energy')
ylabel('( th)')
end
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Stephen23
2018년 3월 18일
편집: Image Analyst
2018년 3월 18일
thank you Image Analyst and Walter Roberson
nPart = 100; % Number of particles
density = 0.85; % Density of particles
maxDr = 0.1;
printFreq = 100;
nSteps = 500;
function [coords, L] = initCubicGrid(nPart,density)
coords = zeros(3,nPart);
L = (nPart/density)^(1.0/3);
nCube = 2;
while (nCube^3 < nPart)
nCube = nCube + 1;
end
index = [0,0,0]';
for part=1:nPart
coords(:,part) = (index+[0.5,0.5,0.5]')*(L/nCube);
index(1) = index(1) + 1;
if (index(1) == nCube)
index(1) = 0;
index(2) = index(2) + 1;
if (index(2) == nCube)
index(2) = 0;
index(3) = index(3) + 1;
end
end
end
end
energy = LJ_Energy(coords,L);
for step = 1:nSteps
if (mod(step,printFreq)==0)
step;
end
for i=1:nPart
rTrial = coords(:,i) + maxDr*(rand(3,1)-0.5);
rTrial = PBC3D(rTrial,L);
deltaE = LJ_EnergyChange(coords,rTrial,i,L);
if (rand < exp(-beta*deltaE))
coords(:,i) = rTrial;
energy = energy + deltaE;
% A= number of layers, th=thin film thickness
for A = 1:nPart
th=A*L;
figure;
plot(th,energy, 'b*'); % Plot the calculated solution
ylabel('energy');
xlabel('th');
end
end
end
end
Image Analyst
2018년 3월 18일
Where do you call initCubicGrid() and what do you pass in for nPart and density?
답변 (2개)
Walter Roberson
2018년 3월 17일
Each iteration of the loop, you are overwriting all of th.
But that does not matter because you do not use the value of th later.
When you use a for loop, after the loop is done, the loop variable is left at the last value it had within the loop, which would be a scalar in this case (and in most cases.) We cannot tell whether energy is a scalar or a vector, but A will be a scalar at the time of the plot()
댓글 수: 2
Image Analyst
2018년 3월 17일
Put these lines before that and tell us what it says
whos energy
whos th
Image Analyst
2018년 3월 17일
Maybe you meant
for A = 1:nPart
th(A) = A * L;
end
plot(energy, th,'b*-');
grid on;
assuming both energy and th are both vectors. If energy is a single number, you'd get an error trying to plot th against it.
But we can't tell because you left out most of the code. Attach complete code if you want a complete answer.
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