[Tutor] problems with numdifftools

Bolli nicolaiheitz at gmx.de
Tue Oct 26 20:59:40 CEST 2010

```Hey,

First of all thanks for your response. I am also new to this forum so I
expected to receive an email if somebody replies to my question. Therefore I

> I am not sure if you are the right persons to contact but if not I
> would appreciate a short notice and maybe an address where I can find
> help.

I'd try the numpy mailing list:

http://www.scipy.org/Mailing_Lists

Alright. I will try that.

> 5) In principal Python can divide those numbers (2.3e-28)/(5.6e-6)**3

I get half the result you suggest above:

>>> (2.3e-28)/(5.6e-6)**3
1.3096756559766764e-12

which agrees with my HP-48GX, and the result after simplifying by hand
to 2.3e-10/175.616. So I think that is the correct result, not 2.6e-12.

You are totally right. I forgot to write down a factor of 2. I am so sorry

> My source code is attached. Please keep in mind that I just started
> programing and Python is my first Language. I tried to do my best to
> comment every single step to make the code readable. Here it comes:

that you need to comment every single line. Comments like:

x = x+1  # increment x by 1

are just noise. But this is a good comment:

x = x+1  # add correction for wind-chill factor.

> self.m = 39.96*1.66*10**(-27)                    #m is the mass
> of a single trapped ion in the chain

I wonder why you calculate m with an explicit exponentiation operator,
instead of a floating point exponent?

The difference is very small, so it probably doesn't matter:

>>> 39.96*1.66*10**(-27)
6.6333600000000006e-26
>>> 39.96*1.66e-27
6.6333599999999994e-26

Haha, you are right. Thats just because I am a physicist and used to write
it down that way. I changed that!

>          for i in range(len(x)):
>              for j in range(len(x)):
>                  if j >i:
>                      Vx = Vx + C * (abs(x[i]-x[j]))**(-1)    #then we

You can simplify that nested loop and addition:

for i in range(len(x)):
for j in range(i+1, len(x)):
Vx += C * (abs(x[i]-x[j]))**(-1)  # add the coulomb interaction

The function range takes up to three integer arguments:

range(start, end, step)

where start and step are optional, defaulting to 0 and 1 respectively.
By starting the inner loop at i+1, you guarantee that j is always > i
and therefore you can skip the test.

The other change is that instead of

Vx = Vx + something

you can write:

Vx += something

Thanks. I got it. In the beginning it is just hard to see every
simplification. But I understand what you were suggesting and I corrected
it. Sometimes a program evolves also physically. So I added the while loop
because I found out later that I need it.

--
Steven D'Aprano
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