Main plumed object. More...

#include <Plumed.h>

Private Attributes
void *	p
	Void pointer holding the real PlumedMain structure. More...

Related Functions
(Note that these are not member functions.)
plumed	plumed_create (void)
	Constructor. More...

void	plumed_cmd (plumed p, const char key, const void val)
	Tells p to execute a command. More...

void	plumed_finalize (plumed p)
	Destructor. More...

int	plumed_installed (void)
	Check if plumed is installed (for runtime binding) More...

plumed	plumed_global (void)
	Retrieves an handler to the global structure. More...

int	plumed_ginitialized (void)
	Check if the global interface has been initialized. More...

void	plumed_gcreate (void)
	Constructor for the global interface. More...

void	plumed_gcmd (const char key, const void val)
	Tells to the global interface to execute a command. More...

void	plumed_gfinalize (void)
	Destructor for the global interface. More...

void	plumed_c2f (plumed p, char *c)
	Converts a C handler to a FORTRAN handler. More...

plumed	plumed_f2c (const char *c)
	Converts a FORTRAN handler to a C handler. More...

Detailed Description

Main plumed object.

This is an object containing a Plumed instance, which should be used in the MD engine. It should first be initialized with plumed_create(), then it communicates with the MD engine using plumed_cmd(). Finally, before the termination, it should be deallocated with plumed_finalize(). Its interface is very simple and general, and is expected not to change across plumed versions. See Reference for interfacing MD codes with PLUMED.

Friends And Related Function Documentation

void plumed_c2f	(	plumed	p,
		char *	c
	)

Parameters

p	The C handler
c	The FORTRAN handler (a char[32])

void plumed_cmd	(	plumed	p,
		const char *	key,
		const void *	val
	)

Parameters

p	The plumed object on which command is acting
key	The name of the command to be executed
val	The argument. It is declared as const to allow calls like plumed_cmd(p,"A","B"), but for some choice of key it can change the content

plumed plumed_create ( void )

Returns: The constructed plumed object

plumed plumed_f2c ( const char * c )

Parameters

c	The FORTRAN handler (a char[32])

Returns: The C handler

void plumed_finalize ( plumed p )

Parameters

p	The plumed object to be deallocated

void plumed_gcmd	(	const char *	key,
		const void *	val
	)

Parameters

key	The name of the command to be executed
val	The argument. It is declared as const to allow calls like plumed_gcmd("A","B"), but for some choice of key it can change the content

Note: Equivalent to plumed_cmd(), but acting on the global plumed object. It thus does not require the plumed object to be specified.

void plumed_gcreate ( void )

Note: Equivalent to plumed_create(), but initialize the static global plumed object

void plumed_gfinalize ( void )

Note: Equivalent to plumed_finalize(), but acting on the global plumed object. It thus does not require the plumed object to be specified.

int plumed_ginitialized ( void )

Returns: 1 if plumed has been initialized, 0 otherwise

plumed plumed_global ( void )

int plumed_installed ( void )

Returns: 1 if plumed is installed, 0 otherwise

Member Data Documentation

void* plumed::p

private

Void pointer holding the real PlumedMain structure.

The documentation for this struct was generated from the following file:

wrapper/Plumed.h

Private Attributes

Related Functions

Detailed Description

Friends And Related Function Documentation

Member Data Documentation