math::calculus - Integration and ordinary differential
equations
package require Tcl 8.4
package require math::calculus 0.7.1
::math::calculus::integral begin end
nosteps func
::math::calculus::integralExpr begin end
nosteps expression
::math::calculus::integral2D xinterval
yinterval func
::math::calculus::integral2D_accurate xinterval
yinterval func
::math::calculus::integral3D xinterval
yinterval zinterval func
::math::calculus::integral3D_accurate xinterval
yinterval zinterval func
::math::calculus::eulerStep t tstep
xvec func
::math::calculus::heunStep t tstep
xvec func
::math::calculus::rungeKuttaStep t tstep
xvec func
::math::calculus::boundaryValueSecondOrder
coeff_func force_func leftbnd rightbnd
nostep
::math::calculus::solveTriDiagonal acoeff
bcoeff ccoeff dvalue
::math::calculus::newtonRaphson func deriv
initval
::math::calculus::newtonRaphsonParameters maxiter
tolerance
::math::calculus::regula_falsi f xb xe
eps
This package implements several simple mathematical
algorithms:
- The integration of a function over an interval
- The numerical integration of a system of ordinary differential
equations.
- Estimating the root(s) of an equation of one variable.
The package is fully implemented in Tcl. No particular attention
has been paid to the accuracy of the calculations. Instead, well-known
algorithms have been used in a straightforward manner.
This document describes the procedures and explains their
usage.
This package defines the following public procedures:
- ::math::calculus::integral begin end nosteps
func
- Determine the integral of the given function using the Simpson rule. The
interval for the integration is [begin, end]. The remaining
arguments are:
- nosteps
- Number of steps in which the interval is divided.
- func
- Function to be integrated. It should take one single argument.
- ::math::calculus::integralExpr begin end
nosteps expression
- Similar to the previous proc, this one determines the integral of the
given expression using the Simpson rule. The interval for the
integration is [begin, end]. The remaining arguments
are:
- nosteps
- Number of steps in which the interval is divided.
- expression
- Expression to be integrated. It should use the variable "x" as
the only variable (the "integrate")
- ::math::calculus::integral2D xinterval yinterval
func
- ::math::calculus::integral2D_accurate xinterval
yinterval func
- The commands integral2D and integral2D_accurate calculate
the integral of a function of two variables over the rectangle given by
the first two arguments, each a list of three items, the start and stop
interval for the variable and the number of steps.
The command integral2D evaluates the function at the
centre of each rectangle, whereas the command integral2D_accurate
uses a four-point quadrature formula. This results in an exact
integration of polynomials of third degree or less.
The function must take two arguments and return the function
value.
- ::math::calculus::integral3D xinterval yinterval
zinterval func
- ::math::calculus::integral3D_accurate xinterval
yinterval zinterval func
- The commands integral3D and integral3D_accurate are the
three-dimensional equivalent of integral2D and
integral3D_accurate. The function func takes three arguments
and is integrated over the block in 3D space given by three
intervals.
- ::math::calculus::eulerStep t tstep xvec
func
- Set a single step in the numerical integration of a system of differential
equations. The method used is Euler's.
- t
- Value of the independent variable (typically time) at the beginning of the
step.
- tstep
- Step size for the independent variable.
- xvec
- List (vector) of dependent values
- func
- Function of t and the dependent values, returning a list of the
derivatives of the dependent values. (The lengths of xvec and the return
value of "func" must match).
- ::math::calculus::heunStep t tstep xvec
func
- Set a single step in the numerical integration of a system of differential
equations. The method used is Heun's.
- t
- Value of the independent variable (typically time) at the beginning of the
step.
- tstep
- Step size for the independent variable.
- xvec
- List (vector) of dependent values
- func
- Function of t and the dependent values, returning a list of the
derivatives of the dependent values. (The lengths of xvec and the return
value of "func" must match).
- ::math::calculus::rungeKuttaStep t tstep xvec
func
- Set a single step in the numerical integration of a system of differential
equations. The method used is Runge-Kutta 4th order.
- t
- Value of the independent variable (typically time) at the beginning of the
step.
- tstep
- Step size for the independent variable.
- xvec
- List (vector) of dependent values
- func
- Function of t and the dependent values, returning a list of the
derivatives of the dependent values. (The lengths of xvec and the return
value of "func" must match).
- ::math::calculus::boundaryValueSecondOrder coeff_func
force_func leftbnd rightbnd nostep
- Solve a second order linear differential equation with boundary values at
two sides. The equation has to be of the form (the
"conservative" form):
d dy d
-- A(x)-- + -- B(x)y + C(x)y = D(x)
dx dx dx
Ordinarily, such an equation would be written as:
d2y dy
a(x)--- + b(x)-- + c(x) y = D(x)
dx2 dx
The first form is easier to discretise (by integrating over a finite volume)
than the second form. The relation between the two forms is fairly
straightforward:
A(x) = a(x)
B(x) = b(x) - a'(x)
C(x) = c(x) - B'(x) = c(x) - b'(x) + a''(x)
Because of the differentiation, however, it is much easier to ask the user
to provide the functions A, B and C directly.
- coeff_func
- Procedure returning the three coefficients (A, B, C) of the equation,
taking as its one argument the x-coordinate.
- force_func
- Procedure returning the right-hand side (D) as a function of the
x-coordinate.
- leftbnd
- A list of two values: the x-coordinate of the left boundary and the value
at that boundary.
- rightbnd
- A list of two values: the x-coordinate of the right boundary and the value
at that boundary.
- nostep
- Number of steps by which to discretise the interval. The procedure returns
a list of x-coordinates and the approximated values of the solution.
- ::math::calculus::solveTriDiagonal acoeff bcoeff
ccoeff dvalue
- Solve a system of linear equations Ax = b with A a tridiagonal matrix.
Returns the solution as a list.
- acoeff
- List of values on the lower diagonal
- bcoeff
- List of values on the main diagonal
- ccoeff
- List of values on the upper diagonal
- dvalue
- List of values on the righthand-side
- ::math::calculus::newtonRaphson func deriv
initval
- Determine the root of an equation given by
func(x) = 0
using the method of Newton-Raphson. The procedure takes the following
arguments:
- func
- Procedure that returns the value the function at x
- deriv
- Procedure that returns the derivative of the function at x
- initval
- Initial value for x
- ::math::calculus::newtonRaphsonParameters maxiter
tolerance
- Set the numerical parameters for the Newton-Raphson method:
- maxiter
- Maximum number of iteration steps (defaults to 20)
- tolerance
- Relative precision (defaults to 0.001)
- ::math::calculus::regula_falsi f xb xe
eps
- Return an estimate of the zero or one of the zeros of the function
contained in the interval [xb,xe]. The error in this estimate is of the
order of eps*abs(xe-xb), the actual error may be slightly larger.
The method used is the so-called regula falsi or
false position method. It is a straightforward implementation.
The method is robust, but requires that the interval brackets a zero or
at least an uneven number of zeros, so that the value of the function at
the start has a different sign than the value at the end.
In contrast to Newton-Raphson there is no need for the
computation of the function's derivative.
- command
f
- Name of the command that evaluates the function for which the zero is to
be returned
- float xb
- Start of the interval in which the zero is supposed to lie
- float xe
- End of the interval
- float
eps
- Relative allowed error (defaults to 1.0e-4)
Notes:
Several of the above procedures take the names of
procedures as arguments. To avoid problems with the visibility of
these procedures, the fully-qualified name of these procedures is determined
inside the calculus routines. For the user this has only one consequence:
the named procedure must be visible in the calling procedure. For
instance:
namespace eval ::mySpace {
namespace export calcfunc
proc calcfunc { x } { return $x }
}
#
# Use a fully-qualified name
#
namespace eval ::myCalc {
proc detIntegral { begin end } {
return [integral $begin $end 100 ::mySpace::calcfunc]
}
}
#
# Import the name
#
namespace eval ::myCalc {
namespace import ::mySpace::calcfunc
proc detIntegral { begin end } {
return [integral $begin $end 100 calcfunc]
}
}
Enhancements for the second-order boundary value problem:
- Other types of boundary conditions (zero gradient, zero flux)
- Other schematisation of the first-order term (now central differences are
used, but upstream differences might be useful too).
Let us take a few simple examples:
Integrate x over the interval [0,100] (20 steps):
proc linear_func { x } { return $x }
puts "Integral: [::math::calculus::integral 0 100 20 linear_func]"
For simple functions, the alternative could be:
puts "Integral: [::math::calculus::integralExpr 0 100 20 {$x}]"
Do not forget the braces!
The differential equation for a dampened oscillator:
x'' + rx' + wx = 0
can be split into a system of first-order equations:
x' = y
y' = -ry - wx
Then this system can be solved with code like this:
proc dampened_oscillator { t xvec } {
set x [lindex $xvec 0]
set x1 [lindex $xvec 1]
return [list $x1 [expr {-$x1-$x}]]
}
set xvec { 1.0 0.0 }
set t 0.0
set tstep 0.1
for { set i 0 } { $i < 20 } { incr i } {
set result [::math::calculus::eulerStep $t $tstep $xvec dampened_oscillator]
puts "Result ($t): $result"
set t [expr {$t+$tstep}]
set xvec $result
}
Suppose we have the boundary value problem:
Dy'' + ky = 0
x = 0: y = 1
x = L: y = 0
This boundary value problem could originate from the diffusion of
a decaying substance.
It can be solved with the following fragment:
proc coeffs { x } { return [list $::Diff 0.0 $::decay] }
proc force { x } { return 0.0 }
set Diff 1.0e-2
set decay 0.0001
set length 100.0
set y [::math::calculus::boundaryValueSecondOrder \
coeffs force {0.0 1.0} [list $length 0.0] 100]
This document, and the package it describes, will undoubtedly
contain bugs and other problems. Please report such in the category math
:: calculus of the Tcllib SF Trackers
[http://sourceforge.net/tracker/?group_id=12883]. Please also report any
ideas for enhancements you may have for either package and/or
documentation.
calculus, differential equations, integration, math, roots
Copyright (c) 2002,2003,2004 Arjen Markus