... | @@ -4,4 +4,5 @@ The valid kind or relationships between calculations are |
... | @@ -4,4 +4,5 @@ The valid kind or relationships between calculations are |
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* *starting\_point*: target calculation is the starting point for the current calculation, especially relevant for perturbation calculations
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* *starting\_point*: target calculation is the starting point for the current calculation, especially relevant for perturbation calculations
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* *qm* or *qm\_1*, *qm\_2*,...: quantum subssystems (for either subsystem DFT or QM/QM calculations)
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* *qm* or *qm\_1*, *qm\_2*,...: quantum subssystems (for either subsystem DFT or QM/QM calculations)
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* *mm* or *mm\_1*, *mm\_2*,...: mm embedding |
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* *mm* or *mm\_1*, *mm\_2*,...: mm embedding
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* *source\_calculation*: the current calculation values were derived from the referenced calculation |
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