sc::TwoBodyGrid(3) MPQC sc::TwoBodyGrid(3)NAME
sc::TwoBodyGrid - Class TwoBodyGrid describes a set of coordinates of 2
particles.
SYNOPSIS
#include <twobodygrid.h>
Inherits sc::SavableState.
Public Member Functions
TwoBodyGrid (StateIn &)
TwoBodyGrid (const Ref< KeyVal > &)
The KeyVal constructor.
void save_data_state (StateOut &)
Save the base classes (with save_data_state) and the members in the
same order that the StateIn CTOR initializes them.
const std::string & name () const
int nelem () const
const SCVector3 & origin () const
SCVector3 xyz1 (int i, const SCVector3 &O=SCVector3(0.0)) const
Cartesian coordinates of particle 1 at grid point i with respect to
origin O.
SCVector3 xyz2 (int i, const SCVector3 &O=SCVector3(0.0)) const
Cartesian coordinates of particle 2 at grid point i with respect to
origin O.
SCVector3 rtp1 (int i, const SCVector3 &O=SCVector3(0.0)) const
Spherical polar coordinates of particle 1 at grid point i with
respect to origin O.
SCVector3 rtp2 (int i, const SCVector3 &O=SCVector3(0.0)) const
Spherical polar coordinates of particle 2 at grid point i with
respect to origin O.
void print (std::ostream &o=ExEnv::out0()) const
Prints out this.
Additional Inherited Members
Detailed Description
Class TwoBodyGrid describes a set of coordinates of 2 particles.
Member Function Documentation
void sc::TwoBodyGrid::save_data_state (StateOut &) [virtual]
Save the base classes (with save_data_state) and the members in the
same order that the StateIn CTOR initializes them. This must be
implemented by the derived class if the class has data.
Reimplemented from sc::SavableState.
Author
Generated automatically by Doxygen for MPQC from the source code.
Version 2.3.1 Fri Feb 19 2016 sc::TwoBodyGrid(3)
