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Viewing changes to src/forcefields/forcefieldghemical.cpp

  • Committer: Package Import Robot
  • Author(s): Daniel Leidert
  • Date: 2013-05-22 19:08:27 UTC
  • mfrom: (1.1.11) (7.1.9 sid)
  • Revision ID: package-import@ubuntu.com-20130522190827-72q0fnx5y2nm3bc0
Tags: 2.3.2+dfsg-1
* New upstream release.
* debian/control: Dropped DM-Upload-Allowed field.
  (Standards-Version): Bumped to 3.9.4.
* debian/copyright: Massive update.
* debian/upstream: Author name update.
* debian/get-orig-source.sh: Remove the windows-*/ directory too.
* debian/openbabel.install: Removed roundtrip manpage.
* debian/openbabel-gui.install: Fixed manpage name.
* debian/openbabel-gui.links: Removed unused file.
* debian/rules: Enable OpenMP. Disable tests on `nocheck'.
* debian/patches/gaussformat_nosym.patch: Dropped. Applied upstream.
* debian/patches/moldenformat_coordonly.patch: Ditto.
* debian/patches/obspectrophore_man.patch: Ditto.
* debian/patches/fix_ftbfs.patch: Added.
  - Fix several FTBFS issues in upstream build system.
* debian/patches/series: Adjusted.

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src/forcefields/forcefieldghemical.cpp
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      for (unsigned int idx=0; idx < parameter.size(); ++idx) {
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        if ( ((_a == parameter[idx]._a) && (_b == parameter[idx]._b) &&
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              (type == parameter[idx]._ipar[0])) ||
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             ((_a == parameter[idx]._b) && (_b == parameter[idx]._a)) &&
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             (type == parameter[idx]._ipar[0]) ) {
 
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             (((_a == parameter[idx]._b) && (_b == parameter[idx]._a)) &&
 
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             (type == parameter[idx]._ipar[0])) ) {
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          par = &parameter[idx];
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          return par;
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        }