Error: Too many ghost atoms

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1

Maximilian,

Please reply to the list as well. I doubt you are doing anything wrong, it is more likely an issue with USER-REAXC not handling the addition of new molecules well. The part about ghost atoms is probably misleading. The total number of atoms in the simulation is larger than the total capacity allocated for PairReaxC so it errors out.

Stan

2

Maximilian,

Please reply to the list as well. I doubt you are doing anything wrong, it is more likely an issue with USER-REAXC not handling the addition of new molecules well. The part about ghost atoms is probably misleading. The total number of atoms in the simulation is larger than the total capacity allocated for PairReaxC so it errors out.

Stan