how to convert matlab file in octave file
James Sherman Jr.
shermanj at umd.edu
Sun Jul 5 10:55:24 CDT 2009
Not to sound obvious, but have you tried running this script in Octave? If
so, what errors do you get?
On Fri, Jul 3, 2009 at 7:14 PM, Carletto Rossi <nuovodna at gmail.com> wrote:
> Hi guys. I would to convert this Matlab script in an Octave file:
>
> N = 4; %number of particles
> n = 1000; %size of cell
> iteration = 500; %times of measurement
> step = 20; %number of steps per-iteration
> T = 1.0; %temperature
> K = 1.0; %Bolztmann constant
> x = zeros(N,1);
> y = zeros(N,1);
> p = 1;
> too_near = 0;
> % ###################### initiation ############################
> while(p <= N)
> %generate trial position
> x_trial = rand*n;
> y_trial = rand*n;
> for q = 1:p
> d = sqrt( (x_trial-x(q))^2 + (y_trial-y(q))^2 );
> if(d <= 1.0) %the new position is too "near"
> too_near = 1;
> break; %there's no need to continue the loop
> else
> too_near = 0;
> end
>
> end
> if(too_near == 0) %the new position is "far", accept it
> x(p) = x_trial;
> y(p) = y_trial;
> p = p+1; %step increment
> end
> end
> % ######################### metropolis #############################
> for k=1:iteration
> W_initial = calculate_potential(N,x,y);
> for j=1:step %how many steps per-iteration
> for i=1:N %for all particles
> %step range between [-0.5,0.5]
> trial_x = rand-0.5;
> trial_y = rand-0.5;
> %save the old values lest the step is not accepted
> x_temp = x(i);
> y_temp = y(i);
> %trial step, bounded by the periodic boundary condition
> x(i) = x(i) + trial_x;
> if (x(i) > n)
> x(i) = x(i) - n;
> elseif (x(i) < 0.0)
> x(i) = n + x(i);
> end
> y(i) = y(i) + trial_y;
> if (y(i) > n)
> y(i) = y(i) - n;
> elseif (y(i) < 0.0)
> y(i) = n + y(i);
> end
>
> W_final = calculate_potential(N,x,y);
> if( (W_final-W_initial) < 0.0 ) %move is accepted
> W_initial = W_final;
> else %apply metropolis criterion
> if (rand < exp(W_initial-W_final)/(K*T))
> W_initial = W_final;
> else %move is not accepted, return to initial position
> x(i) = x_temp;
> y(i) = y_temp;
> end
> end
> end
> end
> scatter(x,y,3,[0 0 1], 'filled') %plot 2D scatter-graph
> F(k) = getframe; %capture every plot
> end
> save simulation.mat F;
> movie2avi(F, 'simulation.avi');
> % ################# calculate potential ###################
> function E = calculate_potential(N,x,y)
>
> E = 0;
>
> for i=1:N %for all particles
> for j=(i+1):N %compute the potential of j with respect to i
> d = sqrt( (x(j)-x(i))^2 + (y(j)-y(i))^2);
> U = d^(-12) - d^(-6); %Lennard-Jones potential
> E = E + U;
> end
> end
>
> Thanks in advance
>
>
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>
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