CuspCorrection.h File Reference

Corrections to electron-nucleus cusp for all-electron molecular calculations. More...

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Classes
struct	CuspCorrectionParameters
	Cusp correction parameters. More...
class	CuspCorrection
	Formulas for applying the cusp correction. More...

Namespaces
	qmcplusplus
	helper functions for EinsplineSetBuilder

Detailed Description

Corrections to electron-nucleus cusp for all-electron molecular calculations.

Definition in file CuspCorrection.h.