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APOLparm class

Parameter structure for APOL-specific variables from input files. More...


Files

file  apolparm.c
 Class APOLparm methods.

file  femparm.h
 Contains declarations for class APOLparm.


Data Structures

struct  sAPOLparm
 Parameter structure for APOL-specific variables from input files. More...


Typedefs

typedef enum eAPOLparm_calcEnergy APOLparm_calcEnergy
 Define eAPOLparm_calcEnergy enumeration as APOLparm_calcEnergy.

typedef enum eAPOLparm_calcForce APOLparm_calcForce
 Define eAPOLparm_calcForce enumeration as APOLparm_calcForce.

typedef enum eAPOLparm_doCalc APOLparm_doCalc
 Define eAPOLparm_calcForce enumeration as APOLparm_calcForce.

typedef sAPOLparm APOLparm
 Declaration of the APOLparm class as the APOLparm structure.


Enumerations

enum  eAPOLparm_calcEnergy {
  ACE_NO = 0,
  ACE_TOTAL = 1,
  ACE_COMPS = 2
}
 Define energy calculation enumeration. More...

enum  eAPOLparm_calcForce {
  ACF_NO = 0,
  ACF_TOTAL = 1,
  ACF_COMPS = 2
}
 Define force calculation enumeration. More...

enum  eAPOLparm_doCalc {
  ACD_NO = 0,
  ACD_YES = 1,
  ACD_ERROR = 2
}
 Define force calculation enumeration. More...


Functions

APOLparmAPOLparm_ctor ()
 Construct APOLparm.

Vrc_Codes APOLparm_ctor2 (APOLparm *thee)
 FORTRAN stub to construct APOLparm.

void APOLparm_dtor (APOLparm **thee)
 Object destructor.

void APOLparm_dtor2 (APOLparm *thee)
 FORTRAN stub for object destructor.

Vrc_Codes APOLparm_check (APOLparm *thee)
 Consistency check for parameter values stored in object.

void APOLparm_copy (APOLparm *thee, APOLparm *source)
 Copy target object into thee.


Detailed Description

Parameter structure for APOL-specific variables from input files.


Enumeration Type Documentation

enum eAPOLparm_calcEnergy
 

Define energy calculation enumeration.

Enumeration values:
ACE_NO  Do not perform energy calculation
ACE_TOTAL  Calculate total energy only
ACE_COMPS  Calculate per-atom energy components

enum eAPOLparm_calcForce
 

Define force calculation enumeration.

Enumeration values:
ACF_NO  Do not perform force calculation
ACF_TOTAL  Calculate total force only
ACF_COMPS  Calculate per-atom force components

enum eAPOLparm_doCalc
 

Define force calculation enumeration.

Enumeration values:
ACD_NO  Do not perform calculation
ACD_YES  Perform calculations
ACD_ERROR  Error setting up calculation


Function Documentation

Vrc_Codes APOLparm_check APOLparm thee  ) 
 

Consistency check for parameter values stored in object.

Author:
David Gohara, Yong Huang
Parameters:
thee APOLparm object
Returns:
Success enumeration

void APOLparm_copy APOLparm thee,
APOLparm source
 

Copy target object into thee.

Author:
Nathan Baker
Parameters:
thee Destination object
source Source object

APOLparm* APOLparm_ctor  ) 
 

Construct APOLparm.

Author:
David Gohara
Returns:
Newly allocated and initialized Vpmgp object

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Vrc_Codes APOLparm_ctor2 APOLparm thee  ) 
 

FORTRAN stub to construct APOLparm.

Author:
David Gohara, Yong Huang
Parameters:
thee Pointer to allocated APOLparm object
Returns:
Success enumeration

void APOLparm_dtor APOLparm **  thee  ) 
 

Object destructor.

Author:
David Gohara
Parameters:
thee Pointer to memory location of APOLparm object

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void APOLparm_dtor2 APOLparm thee  ) 
 

FORTRAN stub for object destructor.

Author:
David Gohara
Parameters:
thee Pointer to APOLparm object


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