version 1.2 | version 1.3 | ||
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} | } | ||
// If mechanichal embedding was requested bu we have QM-MM bonds, we need | // If mechanichal embedding was requested but we have QM-MM bonds, we need | ||
// to send extra info to ComputeQM to preserve calculation speed. | // to send extra info to ComputeQM to preserve calculation speed. | ||
if (qmNumBonds > 0 && qmNoPC) { | if (qmNumBonds > 0 && qmNoPC) { | ||
qmMeNumBonds = qmNumBonds; | qmMeNumBonds = qmNumBonds; |
Legend:
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