Terminating cluster error

EMC
4

Dear users,

To close the loop on this topic: I uploaded a new version for EMC v9.4.4_20230801 (see https://sourceforge.net/projects/montecarlo/files/), which solves the issue as discussed in this thread. Please use the following build file:

build.emc (3.3 KB)

Please note two additions:

  1. merge -> true to the crystal command in line 28, which enables merging of unit cell clusters into super clusters,
  2. types -> {applied -> true} to the simulation command in lines 61-63, which indicates, that the provided force field parameters are valid and the systems have been typed.