I noticed something about FLUXPRINT 3D output and wondered if the behaviour was intentional.
In a crystal, if a BCP lies on the boundary of the cell, there is a strong possibility that the FLUXPRINT 3D list of path coordinates for one side of the path (i.e. the path to one attractor) will have coordinates that are approximately one lattice repeat distance shifted from the path coordinates of the path to the other attractor.
In my experience it's also common to see a BCP crystal coordinate listed as, e.g. 1.00000 and then a coordinate of the first path point associated with that BCP have value e.g. -0.001.
If a FLUXPRINT 3D path crosses the cell boundary, will there be a 1 cell repeat sized jump in the listed cartesian coordinates?
Is there any means via the CRITIC command file to avoid this behaviour?
I noticed something about FLUXPRINT 3D output and wondered if the behaviour was intentional.
In a crystal, if a BCP lies on the boundary of the cell, there is a strong possibility that the FLUXPRINT 3D list of path coordinates for one side of the path (i.e. the path to one attractor) will have coordinates that are approximately one lattice repeat distance shifted from the path coordinates of the path to the other attractor.
In my experience it's also common to see a BCP crystal coordinate listed as, e.g. 1.00000 and then a coordinate of the first path point associated with that BCP have value e.g. -0.001.
If a FLUXPRINT 3D path crosses the cell boundary, will there be a 1 cell repeat sized jump in the listed cartesian coordinates?
Is there any means via the CRITIC command file to avoid this behaviour?