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Viewing changes to src/bin/optking/cartesians.h

  • Committer: Bazaar Package Importer
  • Author(s): Michael Banck
  • Date: 2008-06-07 16:49:57 UTC
  • mfrom: (2.1.2 hardy)
  • Revision ID: james.westby@ubuntu.com-20080607164957-8pifvb133yjlkagn
Tags: 3.3.0-3
http://bugs.debian.org/464867
* debian/rules (DEB_MAKE_CHECK_TARGET): Do not abort test suite on
  failures.
* debian/rules (DEB_CONFIGURE_EXTRA_FLAGS): Set ${bindir} to /usr/lib/psi.
* debian/rules (install/psi3): Move psi3 file to /usr/bin.
* debian/patches/07_464867_move_executables.dpatch: New patch, add
  /usr/lib/psi to the $PATH, so that the moved executables are found.
  (closes: #464867)
* debian/patches/00list: Adjusted.

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Lines of Context:
src/bin/optking/cartesians.h
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        copy[i] = mass[i];
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      return copy;
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    }
 
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    double *get_Zvals() {
 
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      int i;
 
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      double *copy;
 
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      copy = init_array(natom*3);
 
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      for (i=0;i<natom*3;++i)
 
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        copy[i] = atomic_num[i];
 
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      return copy;
 
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    }
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    double *get_fmass() {
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      int i;
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      double *copy;