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Re: Scientific Computing and Forth

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There's no getting around putting in significant time and effort to work out any non-trivial problem, whether one uses library code or not. It's equally true in physics as in software. The library code in that case might be a derived equation. One can use it without insight. In working out the H2+ problem for myself, I purposefully avoided looking at the long history of past work on trial wavefunctions for H2+, so that I could think through the problem myself. I had several false starts, as I didn't use continuous wavefunctions at first, which did not work as expected at all. I learned a valuable lesson. The variational principle has some requirements for continuous wavefunctions. Other trial functions which I thought should do better based on physical reasoning turned out to give poorer (less accurate) answers. Then, I was forced to look back at my reasoning and find the flaws. It was a worthwhile exercise. Now, having gone through the exercise myself, I can comprehend much more easily some 60 years or so of past work.

Reusable source library code is useful. It's not always necessary to reinvent the wheel, because one often cannot become an expert at every aspect of a problem (multidimensional numerical integration, in my example). But, when something doesn't work as expected, one needs to be able to drill down into the problem.

Krishna

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Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-17 09:23 -0800
  Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-18 08:06 -0800
    Re: Scientific Computing and Forth Melzzzzz <mel@zzzzz.com> - 2015-01-23 16:52 +0100
      Re: Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-23 08:45 -0800
        Re: Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-23 08:51 -0800
        Re: Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-23 09:05 -0800
  Re: Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-22 19:58 -0800
    Re: Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-23 07:39 -0800
  Re: Scientific Computing and Forth Whammo <sidciavic@gmail.com> - 2015-01-25 00:15 -0800
    Re: Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-25 06:57 -0800
      Re: Scientific Computing and Forth Whammo <sidciavic@gmail.com> - 2015-01-25 20:10 -0800
        Re: Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-25 22:49 -0800
          Re: Scientific Computing and Forth Whammo <sidciavic@gmail.com> - 2015-01-26 01:23 -0800
            Re: Scientific Computing and Forth Paul E Bennett <Paul_E.Bennett@topmail.co.uk> - 2015-01-26 10:36 +0000
            Re: Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-26 06:24 -0800
              Re: Scientific Computing and Forth beeflo <beeflobill@gmail.com> - 2015-01-26 11:33 -0800
                Re: Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-26 15:49 -0800
              Re: Scientific Computing and Forth Whammo <sidciavic@gmail.com> - 2015-01-26 11:37 -0800
                Re: Scientific Computing and Forth beeflo <beeflobill@gmail.com> - 2015-01-26 12:11 -0800
                Re: Scientific Computing and Forth Whammo <sidciavic@gmail.com> - 2015-01-26 12:14 -0800
                Re: Scientific Computing and Forth beeflo <beeflobill@gmail.com> - 2015-01-26 12:29 -0800
                Re: Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-26 17:29 -0800
                Re: Scientific Computing and Forth Whammo <sidciavic@gmail.com> - 2015-01-28 14:06 -0800
        Re: Scientific Computing and Forth "Elizabeth D. Rather" <erather@forth.com> - 2015-01-25 21:30 -1000
          Re: Scientific Computing and Forth krishna.myneni@ccreweb.org - 2015-01-26 05:28 -0800
            Re: Scientific Computing and Forth "Elizabeth D. Rather" <erather@forth.com> - 2015-01-26 11:06 -1000

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