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Private Attributes | Related Functions | List of all members
plumed Struct Reference

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 
)
related

Converts a C handler to a FORTRAN handler.

Parameters
pThe C handler
cThe FORTRAN handler (a char[32])
void plumed_cmd ( plumed  p,
const char *  key,
const void *  val 
)
related

Tells p to execute a command.

Parameters
pThe plumed object on which command is acting
keyThe name of the command to be executed
valThe 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  )
related

Constructor.

Returns
The constructed plumed object
plumed plumed_f2c ( const char *  c)
related

Converts a FORTRAN handler to a C handler.

Parameters
cThe FORTRAN handler (a char[32])
Returns
The C handler
void plumed_finalize ( plumed  p)
related

Destructor.

Parameters
pThe plumed object to be deallocated
void plumed_gcmd ( const char *  key,
const void *  val 
)
related

Tells to the global interface to execute a command.

Parameters
keyThe name of the command to be executed
valThe 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
void plumed_gcreate ( void  )
related

Constructor for the global interface.

Note
Equivalent to plumed_create(), but initialize a static global plumed object
void plumed_gfinalize ( void  )
related

Destructor for the global interface.

Note
Equivalent to plumed_finalize(), but skipping the plumed argument
int plumed_ginitialized ( void  )
related

Check if the global interface has been initialized.

Returns
1 if plumed has been initialized, 0 otherwise
plumed plumed_global ( void  )
related

Retrieves an handler to the global structure.

int plumed_installed ( void  )
related

Check if plumed is installed (for runtime binding)

Returns
1 if plumed is installed, to 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: