FEDORA-2016-5ad6e5f063 created by rathann 7 years ago for Fedora 23

Changes since version 7.5:

  • Added controls for the autorotation feature. New menu item to start/stop and preferences in the 3D prefs pane to directly set the velocity.
  • Corrected orbital generation bug when effective fragments are included.
  • Worked on the parsing of GVB log files so that all permutations should now be correct.
  • Added pane to view/edit GVB input parameters to the input builder.
  • Set the default MO to be the HOMO or something near it and highlight the HOMO in the list.
  • Added the base filename as a prefix to all subwindows for easier identification when multiple documents are open simultaneously.
  • Fixed a bug in the point group determination code that caused failures when the principle orientation changes with the tolerance.
  • Improved error handling in parsing XYZ files.
  • Added parsing for more than one GVB orbital pair. Note each pair is simply labeled "Overlapping GVB Pair", but the pairs are in order.
  • Corrected a parsing issue with GVB
  • Energy plot window now accepts the same keystrokes as the main display window to change frames (left, right, home, end)
  • Fix a parsing issue with ROHF GAMESS log files
  • Account for an $EFRAG group change to allow all fragment atoms rather than only the first three.
  • Fixed a crash in the frequency window (when no normal modes are present)
  • Fixed the positioning of lone pairs in the builder when the coordination number plus the number of lone pairs is 5.
  • Fixed a couple of parsing issues with MolDen and Molekel (mkl) files.
  • Added GIF and TIFF export image formats (requires wxWidgets 2.9 or newer).
  • Moved distribution site to GitHub due to Google code shutting down.
  • Implemented a performance improvement to the 3D orbital computation. Please report anything that does not look correct or that is inconsistent with the 2D code.

How to install

Updates may require up to 24 hours to propagate to mirrors. If the following command doesn't work, please retry later:

sudo dnf upgrade --refresh --advisory=FEDORA-2016-5ad6e5f063

This update has been submitted for testing by rathann.

7 years ago

This update has been pushed to testing.

7 years ago

This update has reached 7 days in testing and can be pushed to stable now if the maintainer wishes

7 years ago

This update has been submitted for stable by rathann.

7 years ago

This update has been pushed to stable.

7 years ago

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Content Type
Test Gating
Unstable by Karma
Stable by Karma
Stable by Time
7 years ago
in testing
7 years ago
in stable
7 years ago

Automated Test Results