how to ignore single atoms calculation (USPEX)

[abdelkader menad]

Dear developers and users,

I am running USPEX calculation of a binary compound  AB with variable composition up to 4 atoms per unit cell at a given external pressure (100 GPa), in order to reduce the time calculation, i would like to avoid the single atoms calculation (with various compositions). i wonder if there is a way (modification in USPEX input file) that allow me to ignore the individual atoms calculations.

Best wishes

MENAD Abdelkader

[USPEX]

By avoiding single atom calculations, if you mean avoiding creation of pure unary system A or B, it is not possible (at least with the current code) since we need structures of these pure systems to calculate the convex hull and also to create other binary compounds from their heredity or mutation.
But if you mean not systems by one atom in the cell, you just need to add "minAt" to your input and define the minimum number of atoms.