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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Enumerations | Functions
partition.h File Reference
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Namespaces

namespace  Grid
 
namespace  Grid::Partition
 

Enumerations

enum class  Grid::Partition::Type { Grid::Partition::Becke , Grid::Partition::Stratmann }
 

Functions

double Grid::Partition::w_becke (int nR0, const double *drR, const double *dRR, int nR, const int *iR, int c)
 Becke's partition weight.
 
double Grid::Partition::s_becke (double mu)
 
double Grid::Partition::w_stratmann (int nR0, const double *drR, const double *dRR, const double *drR_thr, int nR, int *iR, int c)
 Becke's partition weight with Stratmann's scheme.
 
double Grid::Partition::s_stratmann (double mu)