APBS
1.5
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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. More... | |
VEXTERNC Vrc_Codes | APOLparm_ctor2 (APOLparm *thee) |
FORTRAN stub to construct APOLparm. More... | |
VEXTERNC void | APOLparm_dtor (APOLparm **thee) |
Object destructor. More... | |
VEXTERNC void | APOLparm_dtor2 (APOLparm *thee) |
FORTRAN stub for object destructor. More... | |
VEXTERNC Vrc_Codes | APOLparm_check (APOLparm *thee) |
Consistency check for parameter values stored in object. More... | |
VEXTERNC void | APOLparm_copy (APOLparm *thee, APOLparm *source) |
Copy target object into thee. More... | |
Parameter structure for APOL-specific variables from input files.
enum eAPOLparm_calcEnergy |
Define energy calculation enumeration.
Enumerator | |
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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.
enum eAPOLparm_calcForce |
Define force calculation enumeration.
Enumerator | |
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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.
enum eAPOLparm_doCalc |
Define force calculation enumeration.
Enumerator | |
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ACD_NO | Do not perform calculation |
ACD_YES | Perform calculations |
ACD_ERROR | Error setting up calculation |
Definition at line 111 of file apolparm.h.
VEXTERNC Vrc_Codes APOLparm_check | ( | APOLparm * | thee | ) |
Consistency check for parameter values stored in object.
thee | APOLparm object |
Definition at line 179 of file apolparm.c.
Copy target object into thee.
thee | Destination object |
source | Source object |
Definition at line 108 of file apolparm.c.
VEXTERNC APOLparm* APOLparm_ctor | ( | ) |
Construct APOLparm.
Definition at line 65 of file apolparm.c.
VEXTERNC Vrc_Codes APOLparm_ctor2 | ( | APOLparm * | thee | ) |
FORTRAN stub to construct APOLparm.
thee | Pointer to allocated APOLparm object |
Definition at line 76 of file apolparm.c.
VEXTERNC void APOLparm_dtor | ( | APOLparm ** | thee | ) |
Object destructor.
thee | Pointer to memory location of APOLparm object |
Definition at line 167 of file apolparm.c.
VEXTERNC void APOLparm_dtor2 | ( | APOLparm * | thee | ) |
FORTRAN stub for object destructor.
thee | Pointer to APOLparm object |
Definition at line 177 of file apolparm.c.