HIPPO Polarization

Functions
void	tinker::epolarChgpenData (RcOp)
void	tinker::epolarChgpen (int vers)
void	tinker::epolarChgpenEwaldRecipSelf (int vers, int use_cf)
void	tinker::dfieldChgpen (real(*field)[3])
void	tinker::ufieldChgpen (const real(*uind)[3], real(*field)[3])
void	tinker::ufieldChgpenEwaldRecipSelf (const real(*uind)[3], real(*field)[3])
void	tinker::diagPrecond2 (const real(*rsd)[3], real(*zrsd)[3])
void	tinker::sparsePrecondBuild2 ()
void	tinker::sparsePrecondApply2 (const real(*rsd)[3], real(*zrsd)[3])
void	tinker::induce2 (real(*uind)[3])

Detailed Description

Function Documentation

dfieldChgpen()

void tinker::dfieldChgpen

(

real(*)

field[3]

)

diagPrecond2()

void tinker::diagPrecond2	(	const real(*)	rsd[3],
		real(*)	zrsd[3]
	)

epolarChgpen()

void tinker::epolarChgpen

(

int

vers

)

epolarChgpenData()

void tinker::epolarChgpenData

(

RcOp

)

epolarChgpenEwaldRecipSelf()

void tinker::epolarChgpenEwaldRecipSelf	(	int	vers,
		int	use_cf
	)

induce2()

void tinker::induce2

(

real(*)

uind[3]

)

sparsePrecondApply2()

void tinker::sparsePrecondApply2	(	const real(*)	rsd[3],
		real(*)	zrsd[3]
	)

sparsePrecondBuild2()

void tinker::sparsePrecondBuild2

(

)

ufieldChgpen()

void tinker::ufieldChgpen	(	const real(*)	uind[3],
		real(*)	field[3]
	)

ufieldChgpenEwaldRecipSelf()

void tinker::ufieldChgpenEwaldRecipSelf	(	const real(*)	uind[3],
		real(*)	field[3]
	)