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 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 APOLparm *	APOLparm_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.

Typedef Documentation

APOLparm

typedef struct sAPOLparm APOLparm

Declaration of the APOLparm class as the APOLparm structure.

Definition at line 188 of file apolparm.h.

APOLparm_calcEnergy

typedef enum eAPOLparm_calcEnergy APOLparm_calcEnergy

Define eAPOLparm_calcEnergy enumeration as APOLparm_calcEnergy.

Definition at line 89 of file apolparm.h.

APOLparm_calcForce

typedef enum eAPOLparm_calcForce APOLparm_calcForce

Define eAPOLparm_calcForce enumeration as APOLparm_calcForce.

Definition at line 105 of file apolparm.h.

APOLparm_doCalc

typedef enum eAPOLparm_doCalc APOLparm_doCalc

Define eAPOLparm_calcForce enumeration as APOLparm_calcForce.

Definition at line 121 of file apolparm.h.

Enumeration Type Documentation

eAPOLparm_calcEnergy

enum eAPOLparm_calcEnergy

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 79 of file apolparm.h.

eAPOLparm_calcForce

enum eAPOLparm_calcForce

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 95 of file apolparm.h.

eAPOLparm_doCalc

enum eAPOLparm_doCalc

Define force calculation enumeration.

Enumerator
ACD_NO	Do not perform calculation
ACD_YES	Perform calculations
ACD_ERROR	Error setting up calculation

Definition at line 111 of file apolparm.h.

Function Documentation

APOLparm_check()

VEXTERNC 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

Definition at line 179 of file apolparm.c.

APOLparm_copy()

VEXTERNC void APOLparm_copy	(	APOLparm *	thee,
		APOLparm *	source )

Copy target object into thee.

Author

Nathan Baker

Parameters

thee	Destination object
source	Source object

Definition at line 108 of file apolparm.c.

APOLparm_ctor()

VEXTERNC APOLparm * APOLparm_ctor

(

)

Construct APOLparm.

Author

David Gohara

Returns

Newly allocated and initialized Vpmgp object

Definition at line 65 of file apolparm.c.

APOLparm_ctor2()

VEXTERNC 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

Definition at line 76 of file apolparm.c.

APOLparm_dtor()

VEXTERNC void APOLparm_dtor

(

APOLparm **

thee

)

Object destructor.

Author

David Gohara

Parameters

thee	Pointer to memory location of APOLparm object

Definition at line 167 of file apolparm.c.

APOLparm_dtor2()

VEXTERNC void APOLparm_dtor2

(

APOLparm *

thee

)

FORTRAN stub for object destructor.

Author

David Gohara

Parameters

thee	Pointer to APOLparm object

Definition at line 177 of file apolparm.c.