Version 7.7.3

This release corrects a long standing display issue on Macs with high-resolution displays mostly through changes in the underlying wxWidgets library. A couple of other unicode related bugs are also addressed.

• Updated Mac build to use wxWidgets 3.2.4 which appears to finally resolve the hi-res screeen display problem at last. If you had issues with the molecule display appearing only in 1/4 of the screen in previous versions, it should now be fixed. Unfortunately it has created a new Mac only issue with the atom preferences window display.
• Altered unicode check to allow a bit of unicode from the rungms script output prior to the start of the actual GAMESS output.
• Altered the logic for when paste is allowed due to Macs seemly always provding unicode text. This should get Pasting of coordinates working again, but the coordinates themselves still need to be plain text.

Version 7.7.2

This release corrects several bugs and adds a couple of small features that have been on the request list for some time. A couple of the bugs significantly impacted some users such as the scaling bug on Windows.

• Corrected bug in the computation of shell screen for 3D orbital computations.
• Corrected the use of energy units in the energy plot window.
• Corrected a bug resulting in non-editable fields when adding atoms in Z-matrix mode in the Coordinates Window.
• Corrected bug effecting the export of a series of GAMESS input groups that caused the first frame to be replicated and the last geometry to be missing.
• Added support for dark mode. This requires wx 3.1.3 or later (which is currently Mac only). This fixes view problems in the surfaces, frequency and energy plot windows. Frequency and energy plots use dark mode on the screen but always copy/export in light mode. The main display copies as is currently displayed. If you do not want the dark background in the main display set the background color to not quite white as the code will only flip to dark if the background is fully white.
• Added parser for raman intensities from TDHFX output. Previously raman frequencies were only parsed from RAMAN runtyp runs.
• Added option to parse an energy value from the label line for XMol XYZ files and added the ability to append XYZ files. Documented in the Files manual page. Note also documented existing option for MolDen format files.
• Upgraded Windows build to use wxWidgets 3.1.5 which seems to have cured a scaling issue on Windows systems with high pixel density displays without actual code changes.

Version 7.7.1

Version 7.7.1 is a long overdue bug fix release. It also includes new binaries built with newer compilers against newer wxWidgets which should perform better and install easier on current systems.

v7.7 Feature release

Two new features and multiple bug fixes and other clean up changes.

• Added a menu item to copy the cartesian coordinates in NWChem format (ie. without the atomic number column).
• Corrected a bug in the menu selection for flash export.
• Added animated GIF movie exports (requires wx 2.9 or later).

v7.6.2 Bug Fix Release

Changes include:

• 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.

v7.6.1 bug fix release

Update fixing:

• 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.
• Fixed a compile issue one OpenSuse 13.2.
• 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 NSETO.gt.0.
• Binary rpms are now relocatable.

Version 7.6

bug fixes and 3D orbital performance improvement and move to github