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sc::TwoBodyGrid(3) MPQC sc::TwoBodyGrid(3)

sc::TwoBodyGrid - Class TwoBodyGrid describes a set of coordinates of 2 particles.

#include <twobodygrid.h>

Inherits sc::SavableState.


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.

Class TwoBodyGrid describes a set of coordinates of 2 particles.

Prints out this.

Reimplemented from sc::DescribedClass.

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.

Generated automatically by Doxygen for MPQC from the source code.
Tue Jun 7 2022 Version 2.3.1

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