Maple Toolboxes Questions and Posts

These are Posts and Questions associated with the product, Maple Toolboxes


exploring this package for a graduate course (to physicists, actually).

When calculating diatomic potential energy curves for Ar-F (using Parametric2RDM, or CC) I am running into trouble,

a discontinuity appears at about R=3 Angstroms.

This happens for many wavefunction sets (cc-pVXZ with X=D,T,Q,5, also augmented set on F)

The problem might be basis set superposition error (BSSE), treated usually by counterpoise, i.e., doing the monomer calculations with the molecular basis, by putting in ghost basis for the other atom at the given distance R.

I couldn't figure out whether, in fact, the package supports some treatment at this level, and/or if it does, how to implement it.


many thanks



Is possible to operate Grid Computing Toolbox together with Maple on one local multicore machine?

If yes, what is the proper instalation/configuration procedure on Windows or Linux?

Does global optimization toolbox has randomization option it gives same value every time

Does Maplesoft provide success percentage of this toolbox on benchmark functions?. I cannot see much options in the global solve command (from maple help page) other than population size etc. 

I would like to know whether a local optimizer is combined with the present global optimization toolbox?. I read that toolbox has differential evolution and surrogate optimization techniques etc. These methods guarantee near-optimal solutions and it is often recommended to use a local optimization technique in conjunction with global optimization techniques. 


I try to install I run it as root or with sudo command, but everytime I finish with below message:

Choose Maple 2018 Folder

Please specify the path to your existing Maple 2018 Installation.

 [/opt/maple2018]:  /opt/exp_soft/local/generic/maple/2018

Choose MATLAB Folder

Select your MATLAB installation.

 []: /opt/exp_soft/local/generic/matlab/R2016b

Warning: The installer has detected a previous version of the Maple Toolbox in
your MATLAB installation.
Press [Enter] to continue:
Warning: The directory
is not writable by the current user

I'm not sure what to do with it.




I have an important question regarding the symbolic toolbox from maple for matlab

I have declared three symbolic variables:

syms t;

x = sym('x(t)', 'real');

y = sym('y(t)', 'real');

z = sym('z(t)', 'real'); 

f = x + y + z;

Now i want to  calculate the derivation of f regarding the variable t:

df = diff (f, t);

The result should be 

df = dx(t) / dt + dy(t) / dt + dz(t) / dt

but  instead i get the result df = 0. If i use the command diff (f) i get the result

df = dx(t) / dt 

Does anyone know how to fix this problem?


I was looking to see if anyone has come across a Maple routine for a savings algorithm - specifically, Clarke and Wright. In fact, any classical savings heuristic would also be interesting.

Any guidance would be truly appreciated.

I  encountered a non-integrable integral in the process of solving the following process, . How to achieve its numerical solution? Such as in a looping   code:

pa[i] := pa[i-1]-(Int(subs(t = tau, Lpa[i-1]+Na1[i-1]-Na2[i-1]), tau = 0 .. t)); 

pw[i] := pw[i-1]-(Int(subs(t = tau, Lpw[i-1]+Nw1[i-1]-Nw2[i-1]), tau = 0 .. t)); u[i] := u[i-1]-(Int(subs(t = tau, Lu[i-1]+Nu1[i-1]+Nu2[i-1]), tau = 0 .. t));

Detailed code see

Hi everyone,

For my first question, I am looking for some help about the following. I have the opportunity to run a worksheet in parallel on a cluster of sixteen workstations, each one endowed with twelve CPUs, through the GRID Computing Toolbox. However, I have troubles concerning how to do that.

I join the worksheet at issue: The aim is to run large-scale numerical simulations of a dynamic system, depending on the values given to the initial conditions and to the parameters. The worksheet is organized in four execution groups:

  1. The required packages (combinat and LinearAlgebra).
  2. Calibration of the parameters and initial conditions.
  3. The system, which is embedded into a procedure called SIM.
  4. The activation of SIM, whose outputs are nine .mla files, each one being made of a real-number matrix.

The truth is, I do not clearly see how to modify the worksheet with some elements of the GRID package. Besides, the cluster operates under HTCondor so that running the worksheet requires beforehand the creation of a .sub file. This should be done in consistency with the aforesaid modification.

Any help is welcome, thanks a lot.

I want to simulate Inelastic collision



There has 2 ball which I can change  Quality and Radius.




one ball  move to another stirless ball with diferent angle

Dear Friends,

My present problem is to calculate the coefficients  

of ODES based on the experiment data. In order to simulate the actual experiment, a set of  is given with . Then the experiment data (yexp) can be calculated. Finally, the least-squares method (lsq) is used to calculate the coefficient values. Now the NLPSolve function can be used. However, the globalsolve cant run.


If it is convenient for you, wish you can solve it.




cdm_ode := diff(y1(t), t) = c0*(y6(t)*(1-y3(t))/(s0*(1-y4(t)*(1-y5(t)))))^n/(1-y2(t)), diff(y2(t), t) = ks*y2(t)^(1/3)*(1-y2(t)), diff(y3(t), t) = h1*(1-y3(t)/h2)*c0*(y6(t)*(1-y3(t))/(s0*(1-y4(t)*(1-y5(t)))))^n/(sigma*(1-y2(t))), diff(y4(t), t) = (1/3)*kp*(1-y4(t))^4, diff(y5(t), t) = A*B*y1(t)^(B-1)*c0*(y6(t)*(1-y3(t))/(s0*(1-y4(t)*(1-y5(t)))))^n/(1-y2(t)), diff(y6(t), t) = y6(t)*c0*(y6(t)*(1-y3(t))/(s0*(1-y4(t)*(1-y5(t)))))^n/(1-y2(t));


tol_t := 3600;
sol := dsolve([cdm_ode, y1(0) = 0, y2(0) = 0, y3(0) = 0, y4(0) = 0, y5(0) = 0, y6(0) = 175], numeric, range = 0 .. tol_t, output = listprocedure, parameters = [c0, n, sigma, s0, ks, h1, h2, kp, A, B]);

sol(parameters = [5.7*10^(-6), 10.186, 175, 200, 5*10^(-8), 10000, .269, 1.5*10^(-7), 1.5, 2]);

t := [seq(i^2, i = 0 .. 50, 1)];

y1data := subs(sol, y1(t));
y1exp := [seq(y1data(t[i]), i = 1 .. 51)];

err := proc (c0, n, s0, ks, h1, h2, kp, A, B) local y1cal, y1val, lsq; sol(parameters = [c0, n, 175, s0, ks, h1, h2, kp, A, B]); y1cal := subs(sol, y1(t)); y1val := [seq(y1cal(t[i]), i = 1 .. 51)]; lsq := add((y1val[i]-y1exp[i])^2, i = 1 .. 51); lsq end proc;

val := NLPSolve(err, 10^(-8) .. 10^(-4), 2 .. 20, 150 .. 250, 10^(-2) .. 1, 100 .. 20000, 10^(-5) .. .4, 10^(-5) .. 1, .5 .. 2, 1 .. 10);
GlobalSolve(err, 10^(-10) .. 10^(-4), 2 .. 20, 150 .. 250, 0 .. 1, 100 .. 15000, 0 .. .5, 0 .. 1, .5 .. 2, 1 .. 5);

Error, (in GlobalOptimization:-GlobalSolve) `InertForms` does not evaluate to a module






I want to get numerical solution of the Eqs.ode(see the folowlling ode and ibc)in Maple.However,when i run the following procedure,it prompts an error "Error, (in dsolve/numeric/bvp) cannot determine a suitable initial profile, please specify an approximate initial solution". How to solve the issue? Please help me.

n := 1.4; phi := 1; beta := .6931; psi := 1

> restart;
> n := 1.4; phi := 1; beta := .6931; psi := 1;

> s := proc (x) options operator, arrow; evalf(1+(phi*exp(beta*psi)*h(x))^n) end proc;

> Y := proc (x) options operator, arrow; evalf(f-(1/2-(1/2)/n)*ln(s(x))+2*ln(1-(1-s(x))^(-1+1/n))) end proc;

> ode := diff(h(x), `$`(x, 2))+(diff(Y(x), x))*(diff(h(x), x)+1) = 0;

> ibc := h(0) = 0, ((D(h))(10)+1)*s(10)^(-(1-1/n)*(1/2))*(1-(1-1/s(10))^(1-1/n))^2 = 0;

> p := dsolve({ibc, ode}, numeric);
Error, (in dsolve/numeric/bvp) cannot determine a suitable initial profile, please specify an approximate initial solution




I'm using the Global Optimization Toolbox to solve some examples and fit equations to a given data, finding "unknown" parameters. I generated the data on Excel, and I already know the values of these parameters.

The XY case is (there is no problem here, I just put as a example I follow):

> with(GlobalOptimization);
> with(plots);

> X := ExcelTools:-Import("F:\\Data.xlsx", "Plan1", "I5:I25");
> Y := ExcelTools:-Import("F:\\Data.xlsx", "Plan1", "J5:J25");

> XY := zip( (X, Y) -> [X, Y] , X, Y);
> fig1 := plot(XY, style = point, view = [.9 .. 3.1, 6 .. 40]);

> Model := A+B*x+C*x^2+D*cos(x)+E*exp(x):
> VarInterv := [A = 0 .. 10, B = 0 .. 10, C = -10 .. 10, D = 0 .. 10, E = 0 .. 10];

> ModelSubs := proc (x, val)

    subs({x = val}, Model)

    end proc;

> SqEr := expand(add((ModelSubs(x, X(i))-Y(i))^2, i = 1 .. 21));
> CoefList := GlobalSolve(SqEr, op(VarInterv), timelimit = 5000);

> Model := subs(CoefList[2], Model):


I could find the right values of A, B, C, D and E. 


My problem is in the XYZ case, where I don't know how to "write" the right instruction. My last attempt was:

> with(GlobalOptimization);
> with(plots);

> X := ExcelTools:-Import("F:\\Data.xlsx", "Plan1", "Q5:Q25"); X2 := convert(X, list);
> Y := ExcelTools:-Import("F:\\Data.xlsx", "Plan1", "R5:R25"); Y2 := convert(Y, list);
> Z := ExcelTools:-Import("F:\\Data.xlsx", "Plan1", "S5:S25"); Z2 := convert(Z, list);
> NElem := numelems(X);

> pointplot3d(X2, Y2, Z2, axes = normal, labels = ["X", "Y", "Z"], symbol = box, color = red);


> Model := A*x+B*y+C*sin(x*y)+D*exp(x/y);

> VarInterv := [A = 0 .. 10, B = 0 .. 10, C = 0 .. 10, D = 0 .. 10];

> ModelSubs:=proc({x,y},val)


end proc:
Error, missing default value for option(s)

> SqEr := expand(add((ModelSubs(x, y, X(i), Y(i))-Z(i))^2, i = 1 .. NElem));
> CoefList := GlobalSolve(SqEr, op(Range), timelimit = 5000);
Error, (in GlobalOptimization:-GlobalSolve) finite bounds must be provided for all variables


My actual problem involves six equations, six parameters and four or five independent variables on each equation, but I alread developed a way to solve two or more equations simultaneously.


Hi MaplePrimers,

I'm trying to solve a system of algebraic equations using 'solve' [float].  I'd prefer to use 'solve' over 'fsolve', as 'solve' solves my system in about 0.05s, whereas fsolve takes about 5 seconds.  I need to solve the system repeatedly at a different points, so time is important.  I don't know why there is such a large difference in time ... 

I have a few piecewise functions of order 3 to 5.  It solves fine with the other (piecewise) equations, but adding one piecewise function which gives me an error while trying to solve:

Error, (in RootOf) _Z occurs but is not the dependent variable.

I think this is due to solve finding multiple solutions.  Is there a way to limit solve to only real solutions?

Thanks in advance!

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