General

Version numbers, program entries, data construction and destruction. More...

Macros
#define	TINKER9_VERSION_MAJOR   1
#define	TINKER9_VERSION_MINOR   4
#define	TINKER9_VERSION_PATCH   0

Functions
void	tinker::xAnalyze (int, char **)
	Entry point of the analyze program. More...
void	tinker::xBar (int, char **)
	Entry point of the bar program. More...
void	tinker::xDynamic (int, char **)
	Entry point of the dynamic program. More...
void	tinker::xHelp (int, char **)
	Entry point of the help program. More...
void	tinker::xInfo (int, char **)
	Entry point of the info program. More...
void	tinker::xMinimize (int, char **)
	Entry point of the minimize program. More...
void	tinker::xTestgrad (int, char **)
	Entry point of the testgrad program. More...
void	tinker::promo ()
	Writes a banner message. More...
void	tinker::initial ()
void	tinker::mechanic2 ()
	Sets up extra parameters and options in addition to the Fortran mechanic subroutine. More...
void	tinker::initialize ()
	Sets up host and device environment. More...
void	tinker::finish ()
	Cleans up host and device environment. More...

Detailed Description

Version numbers, program entries, data construction and destruction.

Macro Definition Documentation

TINKER9_VERSION_MAJOR

#define TINKER9_VERSION_MAJOR   1

TINKER9_VERSION_MINOR

#define TINKER9_VERSION_MINOR   4

TINKER9_VERSION_PATCH

#define TINKER9_VERSION_PATCH   0

Function Documentation

finish()

void tinker::finish

(

)

Cleans up host and device environment.

initial()

void tinker::initial

(

)

Sets up original values for some variables and parameters that might not otherwise get initialized. This function is a line-by-line translation of the Fortran initial subroutine.

initialize()

void tinker::initialize

(

)

Sets up host and device environment.

mechanic2()

void tinker::mechanic2

(

)

Sets up extra parameters and options in addition to the Fortran mechanic subroutine.

promo()

void tinker::promo

(

)

Writes a banner message.

xAnalyze()

void tinker::xAnalyze	(	int	,
		char **
	)

Entry point of the analyze program.

xBar()

void tinker::xBar	(	int	,
		char **
	)

Entry point of the bar program.

xDynamic()

void tinker::xDynamic	(	int	,
		char **
	)

Entry point of the dynamic program.

xHelp()

void tinker::xHelp	(	int	,
		char **
	)

Entry point of the help program.

xInfo()

void tinker::xInfo	(	int	,
		char **
	)

Entry point of the info program.

xMinimize()

void tinker::xMinimize	(	int	,
		char **
	)

Entry point of the minimize program.

xTestgrad()

void tinker::xTestgrad	(	int	,
		char **
	)

Entry point of the testgrad program.