DL Visualize v3-r718 release notes

This release changes the user interface to match the MacOSX settings. The left button rotates the view and the right button (control-button on the Mac) selects atoms. To make the Linux or Windows version revert to the earlier (v3.1) behaviour add set DLV_V31_BUTTONS=1 to your dlv.bat file on Windows, and add setenv DLV_V31_BUTTONS 1 to the dlv script on Linux.

3.1-r655 issues fixed in r692

  1. Cutting a (514) slab/surface from Anastase produces an error message on the command line and an incorrect structure. IMPORTANT if you are using DLV for slab calculations with CRYSTAL.
  2. There was a problem reading Mulliken populations with CRYSTAL for spin-polarised calculations that caused DLV to crash.

Other features

  1. Changes to create line/plane/volume panels.
  2. Delete data object option.
  3. beta Gaussian cube file reader.
  4. Includes developments to support ONETEP.

3.1-r623 issues fixed in r655

  1. For cluster model calculations with DL_EXCURV, point group symmetries that don't include an n-fold axis value were labelled incorrectly, e.g. Oh as O1h.
  2. ROD beta interface did not work correctly with DLV projects.

3.1-r588 issues fixed in r623

  1. Windows - There are problems creating projects using absolute pathnames that contain a drive letter.
  2. Windows - There are communication problems between DLV and DL-Excurv that result in error messages when trying to plot data.
  3. Mac - The option to access the Chemical database Service fails to correctly open a socket for Crystalworks to access.
  4. Mac - The CIF reader causes the application to abort when reading some files.

Updates include

  1. Initial interface to UK Chemical database Service Crystalworks developments. The Preferences -> configure menu can be used to set this option. Data is sent from your web browser to DLV via the Crystalworks Output CIF to Socket button.

3.1-r551 issues fixed in r588

  1. CRYSTAL Density of States doesn't work correctly for atom projections on slabs. It does work correctly for bulk systems.
  2. CRYSTAL Mulliken populations may incorrectly show 0 charge for shells or orbitals. The total charge should be correct,
  3. DLV fails to read the fermi/top of valence energy from the changed output format in CRYSTAL09 which can result in misalignment in BANDS+DOS plots.