APBS 3.0.0
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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 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.

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

Define eAPOLparm_calcEnergy enumeration as APOLparm_calcEnergy.

Definition at line 89 of file apolparm.h.

◆ APOLparm_calcForce

Define eAPOLparm_calcForce enumeration as APOLparm_calcForce.

Definition at line 105 of file apolparm.h.

◆ APOLparm_doCalc

Define eAPOLparm_calcForce enumeration as APOLparm_calcForce.

Definition at line 121 of file apolparm.h.

Enumeration Type Documentation

◆ 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

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

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
theeAPOLparm 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
theeDestination object
sourceSource 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
theePointer 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
theePointer 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
theePointer to APOLparm object

Definition at line 177 of file apolparm.c.