pareto optimization for calculations on molecular crystals

[Peter Winey]

Dear USPEX developers,

I am a user of USPEX v10.5. It supports pareto optimization (multi objective optimization), which is really a fantastic feature. Thanks for the USPEX team for the great work.

Recently, I tried it for calculations on molecular crystals. Unfortunately, it would produce "Undefined function or variable" error after the first generation and then the program would quite.

I am thinking, maybe the pareto optimization is only implemented for calculationType "300", not "310". Could someone please confirm whether this is the case or not? If yes, would it be possible to extend the pareto optimization to the calculations on molecular crystals?

Thanks!

Best,

Peter Winey