sc_TwoBodyGrid man page

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

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Info

Fri May 6 2016 Version 2.3.1 MPQC