ME

Specifies the generic Mie potential with periodic boundary conditions (minimum image convention). Six extra parameters must be specified in the odata file using the PARAMS keyword; in order these are the exponents n (repulsive) and $ m$ (attractive), the three box lengths and the cutoff. If keyword PRESSURE is set in odata then a constant pressure type optimisation is performed using golden section minimisation, as described for SC. Note that n and m should both be entered as reals. Subroutines used: emie, mied and miel.



David Wales 2017-11-22