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Advanced Options
Data Output
- Set iteration at final output equal to number of iterations?: "yes" or "no" is just for convenience. It is usually set to "yes" as it is useful to have data outputs recorded to the end of the simulation.
- The number of outputs?: the number of data outputs refers to the number of times the supersaturation of the system is recorded. These are recorded at equal interval.
- Iteration at initial output? (default is 1): the supersaturation data is recorded from this iteration.
- Iteration at final output? (default is number of iterations): the supersaturation data is recorded until this iteration.
Advanced
- How many checking sweeps, 1 is normal, 2 to clear internal defects. 1 or 2?: this refers to the routine within CrystalGrower that determines the connectivity around a growth or dissolution site following one iteration. The efficiency optimised algorithm works very well in all situations except when internal defects are created. In this case a few extra defects appear which are an artefact of the computation. These are eliminated by doing a second checking sweep. However, this slows down the calculation. Consequently the default here is 1 but if you are interested in internal defects then you should use 2.
- Method for determining multipliers for combinations? 1 or 2?: (NOT REQUIRED FOR VERSION CRYSTALGROWER_X_1.3.1.0 ONWARDS!!) this refers to the efficient algorithm used by CrystalGrower to determine the full connectivity of structures and to encode this in a manner that can be rapidly updated. The normal algorithm works for the vast majority of structures but cannot cope with some particularly complex structures. In this case algorithm 2 works in all cases. However, algorithm 2 is somewhat less efficient and should only be used if necessary.
- CrystalGrower version: refers to the version of CrystalGrower that is compatible with the graphical user interface.