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.
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_126.96.36.199 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.
To help you get started growing crystals with CrystalGrower, we have recorded a series of video guides on our YouTube channel.