The Bond Distance tool now prints the projected distance (in the plane of the screen) in the Log. The Crystal Editor now inherits unconventional spacegroup settings from the Spacegroup Browser correctly.įixed a possible crash when reading from a LAMMPS file with long atom label strings.
The Synchronize command now correctly respects the plot range for crystal structures. The Relax Molecule command now displays an error if there are hidden atoms.įixed an issue with the Synchronize command due to incorrect site matching - sites are now matched correctly. This is now automatically corrected when reading the files into the program. Some older files were saved with their view directions inverted. Updated View Direction when loading a CrystalMaker binary file. Instead, vectors are plotted as defined by the input data, even if this means that some (extra-short) vectors will be hidden inside their host atom. When reading atom vector data ("AVEC" card) from a CrystalMaker text file, CrystalMaker no longer enforces a minimum vector length of 1.5 Å. Updated User's Guide, including notes on file synchronization and Apple's recent withdrawal of support for QuickTime for Windows.
#REPEATING A UNIT CELL IN CRYSTALMAKER PLUS#
This version includes updated documentation, more-flexible import of atom vector data, plus bug fixes for the Synchronize command, the Crystal Editor and LAMMPS file import. Sorting has been made smarter in this version, taking account of numerical suffices so that numbered views are sorted in a more human-readable manner (e.g., "10" appears after "2" and not before). This used a straightforward string comparison (e.g., "alpha" comes before "zulu"). Earlier versions of CrystalMaker allowed sorting of views in ascending or descending order, using the view labels. This allows up to 1-million unique atom IDs (from 0 to 999,999). In this version, CrystalMaker detects possible label overflow and will either truncate the symbol (prefix) to one character, or omit it entirely. Unfortunately, CrystalMaker's 6-character label limit can mean that labels end up being truncated - especially if they have a two-character element symbol as the prefix. In order to track atoms within these massive datasets, the atom label is required. Some users are working with massive structures, output as "dump" files from the LAMMPS program.
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