See: Description
| Class | Description |
|---|---|
| CubePartitioner |
This class is to get those grid points that belong to the intersection region
of QM core region and non-QM core region.
|
| DensityOverlapRegionsIndicatorPartitioner |
This class is to analyze Density Overlap Regions Indicator(DORI) for those
grid points in the intersection between QM core region and non-QM core region
based on Voronoi partitioning.
|
| DensityPartitioner |
This class is to use the density of qm core to define the region (adaptive
search region) to look for the potential QM core or QM adaptive molecules.
|
| GridPointAssigner |
This class is to determine if a grid point is in the intersection region
between QM core and non-QM core in adaptiveSearch region.
|
| InteractionPartitioner |
This class is to do density interaction analysis (dori/sedd ) for those grid
points in the intersection between QM core region and non-QM core region
based on Voronoi partition.
|
| SingleExponentialDecayDetectorPartitioner |
This class is to analyze SEDD for those grid points in the intersection
between QM core region and non-QM core region based on Voronoi partitioning.
|