Data Structures | Files | Typedefs | Enumerations | Functions

APOLparm class

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

Data Structures

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

Files

file  femparm.h
 

Contains declarations for class APOLparm.


file  apolparm.c
 

Class APOLparm methods.


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 struct 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

VEXTERNC APOLparmAPOLparm_ctor ()
 Construct APOLparm.
VEXTERNC Vrc_Codes APOLparm_ctor2 (APOLparm *thee)
 FORTRAN stub to construct APOLparm.
VEXTERNC void APOLparm_dtor (APOLparm **thee)
 Object destructor.
VEXTERNC void APOLparm_dtor2 (APOLparm *thee)
 FORTRAN stub for object destructor.
VEXTERNC Vrc_Codes APOLparm_check (APOLparm *thee)
 Consistency check for parameter values stored in object.
VEXTERNC 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

Define energy calculation enumeration.

Enumerator:
ACE_NO 

Do not perform energy calculation

ACE_TOTAL 

Calculate total energy only

ACE_COMPS 

Calculate per-atom energy components

Definition at line 68 of file apolparm.h.

Define force calculation enumeration.

Enumerator:
ACF_NO 

Do not perform force calculation

ACF_TOTAL 

Calculate total force only

ACF_COMPS 

Calculate per-atom force components

Definition at line 84 of file apolparm.h.

Define force calculation enumeration.

Enumerator:
ACD_NO 

Do not perform calculation

ACD_YES 

Perform calculations

ACD_ERROR 

Error setting up calculation

Definition at line 100 of file apolparm.h.


Function Documentation

VEXTERNC Vrc_Codes APOLparm_check ( APOLparm thee )

Consistency check for parameter values stored in object.

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

Definition at line 173 of file apolparm.c.

VEXTERNC void APOLparm_copy ( APOLparm thee,
APOLparm source 
)

Copy target object into thee.

Author:
Nathan Baker
Parameters:
theeDestination object
sourceSource object

Definition at line 102 of file apolparm.c.

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VEXTERNC APOLparm* APOLparm_ctor (  )

Construct APOLparm.

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

Definition at line 59 of file apolparm.c.

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VEXTERNC Vrc_Codes APOLparm_ctor2 ( APOLparm thee )

FORTRAN stub to construct APOLparm.

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

Definition at line 70 of file apolparm.c.

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VEXTERNC void APOLparm_dtor ( APOLparm **  thee )

Object destructor.

Author:
David Gohara
Parameters:
theePointer to memory location of APOLparm object

Definition at line 161 of file apolparm.c.

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VEXTERNC void APOLparm_dtor2 ( APOLparm thee )

FORTRAN stub for object destructor.

Author:
David Gohara
Parameters:
theePointer to APOLparm object

Definition at line 171 of file apolparm.c.

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