HybridRepCenterOrbitals.h File Reference

Hybrid representation atomic centered orbitals. More...

Include dependency graph for HybridRepCenterOrbitals.h:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Classes
class	HybridRepSetReader< SA >
	General HybridRepSetReader to handle any unitcell. More...
class	AtomicOrbitals< ST >
class	HybridRepCenterOrbitals< ST >
struct	HybridRepCenterOrbitals< ST >::LocationSmoothingInfo

Namespaces
	qmcplusplus
	helper functions for EinsplineSetBuilder

Detailed Description

Hybrid representation atomic centered orbitals.

Definition in file HybridRepCenterOrbitals.h.

---

Class Documentation

qmcplusplus::HybridRepCenterOrbitals::LocationSmoothingInfo

struct qmcplusplus::HybridRepCenterOrbitals::LocationSmoothingInfo

template<typename ST>
struct qmcplusplus::HybridRepCenterOrbitals< ST >::LocationSmoothingInfo

Definition at line 486 of file HybridRepCenterOrbitals.h.

Collaboration diagram for HybridRepCenterOrbitals< ST >::LocationSmoothingInfo:

Class Members
RealType	d2f_dr2	smooth function second derivative
RealType	df_dr	smooth function first derivative
PosType	dist_dr	dr from distance table
RealType	dist_r	r from distance table
RealType	f	smooth function value
PointType	r_image	for APBC
Region	region	region of the location