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.

Definition at line 201 of file Plumed.h.

Friends And Related Function Documentation

void plumed_c2f	(	plumed	p,
		char *	c
	)

Parameters

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

Definition at line 195 of file Plumed.c.

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

Definition at line 155 of file Plumed.c.

plumed plumed_create ( void )

Returns: The constructed plumed object

Definition at line 149 of file Plumed.c.

plumed plumed_f2c ( const char * c )

Parameters

c	The FORTRAN handler (a char[32])

Returns: The C handler

Definition at line 217 of file Plumed.c.

void plumed_finalize ( plumed p )

Parameters

p	The plumed object to be deallocated

Definition at line 159 of file Plumed.c.

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 skipping the plumed argument

Definition at line 181 of file Plumed.c.

void plumed_gcreate ( void )

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

Definition at line 176 of file Plumed.c.

void plumed_gfinalize ( void )

Note: Equivalent to plumed_finalize(), but skipping the plumed argument

Definition at line 185 of file Plumed.c.

int plumed_ginitialized ( void )

Returns: 1 if plumed has been initialized, 0 otherwise

Definition at line 190 of file Plumed.c.

plumed plumed_global ( void )

Definition at line 172 of file Plumed.c.

int plumed_installed ( void )

Returns: 1 if plumed is installed, to 0 otherwise

Definition at line 163 of file Plumed.c.

Member Data Documentation

void* plumed::p

private

Void pointer holding the real PlumedMain structure.

Definition at line 206 of file Plumed.h.

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