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Prog. language for computational chemistry

  1. Aug 4, 2010 #1
    I want to write a small library while I'm having fun learning about computational chemistry. It might get somewhere, it might not. It's mostly to learn.

    The obvious choice for the project would be either C, C++ or Fortran. However, as it's not a "serious" project, I might try another language. That is: I would like to try a language that at least has some chance to become popular in high performance computing, that is really better for scientific computing (i.e.: make it easy to deal with matrices, parallel computing, ...). And of course it has to work well under Linux, we're talking about computational chemistry !

    http://projectfortress.sun.com/Projects/Community/" [Broken] seems pretty interesting, but it might be a little too risky (i.e.: I'm not sure this language has any serious chance of survival).

    Any suggestion ?
    Last edited by a moderator: May 4, 2017
  2. jcsd
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