AMOEBA Multipole & Polarization

Functions
void	tinker::emplar (int vers)
	Multipole and AMOEBA polarization energy. More...

Detailed Description

Function Documentation

emplar()

void tinker::emplar

(

int

vers

)

Multipole and AMOEBA polarization energy.

Note

Will not be called in any of the following situations:

• not using GPU;
• not using CUDA as the primary GPU package;
• not using periodic boundary condition;
• not using both multipole and AMOEBA polarization terms.

Does not count number of interactions and aborts the program if called erroneously (bug in the code).