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PBEparm class

Parameter structure for PBE variables independent of solver. More...


Files

file  pbeparm.h
 Contains declarations for class PBEparm.


Data Structures

struct  sPBEparm
 Parameter structure for PBE variables from input files. More...


Defines

#define PBEPARM_MAXWRITE   10
 Number of things that can be written out in a single calculation.


Typedefs

typedef sPBEparm PBEparm
 Declaration of the PBEparm class as the PBEparm structure.


Functions

double PBEparm_getIonCharge (PBEparm *thee, int iion)
 Get charge (e) of specified ion species.

double PBEparm_getIonConc (PBEparm *thee, int iion)
 Get concentration (M) of specified ion species.

double PBEparm_getIonRadius (PBEparm *thee, int iion)
 Get radius (A) of specified ion species.

PBEparm * PBEparm_ctor ()
 Construct PBEparm object.

int PBEparm_ctor2 (PBEparm *thee)
 FORTRAN stub to construct PBEparm object.

void PBEparm_dtor (PBEparm **thee)
 Object destructor.

void PBEparm_dtor2 (PBEparm *thee)
 FORTRAN stub for object destructor.

int PBEparm_check (PBEparm *thee)
 Consistency check for parameter values stored in object.

void PBEparm_copy (PBEparm *thee, PBEparm *parm)
 Copy PBEparm object into thee.

int PBEparm_parseToken (PBEparm *thee, char tok[VMAX_BUFSIZE], Vio *sock)
 Parse a keyword from an input file.


Detailed Description

Parameter structure for PBE variables independent of solver.


Function Documentation

int PBEparm_check PBEparm   thee
 

Consistency check for parameter values stored in object.

Author:
Nathan Baker
Parameters:
thee  PBEparm object
Returns:
1 if OK, 0 otherwise

void PBEparm_copy PBEparm   thee,
PBEparm   parm
 

Copy PBEparm object into thee.

Author:
Nathan Baker
Parameters:
thee  PBEparm object (target for copy)
parm  PBEparm object (source for copy)

PBEparm* PBEparm_ctor  
 

Construct PBEparm object.

Author:
Nathan Baker
Returns:
Newly allocated and initialized PBEparm object

int PBEparm_ctor2 PBEparm   thee
 

FORTRAN stub to construct PBEparm object.

Author:
Nathan Baker
Parameters:
thee  Space for PBEparm object
Returns:
1 if succesful, 0 otherwise

void PBEparm_dtor PBEparm **    thee
 

Object destructor.

Author:
Nathan Baker
Parameters:
thee  Pointer to memory location of PBEparm object

void PBEparm_dtor2 PBEparm   thee
 

FORTRAN stub for object destructor.

Author:
Nathan Baker
Parameters:
thee  Pointer to PBEparm object

double PBEparm_getIonCharge PBEparm   thee,
int    iion
 

Get charge (e) of specified ion species.

Author:
Nathan Baker
Parameters:
thee  PBEparm object
iion  Ion species ID
Returns:
Charge of ion species (e)

double PBEparm_getIonConc PBEparm   thee,
int    iion
 

Get concentration (M) of specified ion species.

Author:
Nathan Baker
Parameters:
thee  PBEparm object
iion  Ion species ID
Returns:
Concentration of ion species (M)

double PBEparm_getIonRadius PBEparm   thee,
int    iion
 

Get radius (A) of specified ion species.

Author:
Nathan Baker
Parameters:
thee  PBEparm object
iion  Ion species ID
Returns:
Radius of ion species (A)

int PBEparm_parseToken PBEparm   thee,
char    tok[VMAX_BUFSIZE],
Vio *    sock
 

Parse a keyword from an input file.

Author:
Nathan Baker
Parameters:
thee  PBEparm object
tok  Token to parse
sock  Stream for more tokens
Returns:
1 if matched and assigned; -1 if matched, but there's some sort of error (i.e., too few args); 0 if not matched


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