ex_model_driver_P_Morse.c File Reference

#include "KIM_LogMacros.h"
#include "KIM_ModelDriverHeaders.h"
#include <math.h>
#include <stdio.h>
#include <stdlib.h>

Include dependency graph for ex_model_driver_P_Morse.c:

Go to the source code of this file.

Classes
struct	model_buffer

Macros
#define	TRUE   1
#define	FALSE   0
#define	DIM   3 /* dimensionality of space */
#define	SPECCODE   1 /* internal species code */
#define	SPEC_NAME_LEN   64 /* max length of species name string */
#define	SPEC_NAME_FMT   "%63s"
#define	KIM_LOGGER_FUNCTION_NAME   KIM_ModelCompute_LogEntry
#define	KIM_LOGGER_OBJECT_NAME   modelCompute
#define	KIM_LOGGER_FUNCTION_NAME   KIM_ModelDriverCreate_LogEntry
#define	KIM_LOGGER_OBJECT_NAME   modelDriverCreate
#define	KIM_LOGGER_FUNCTION_NAME   KIM_ModelRefresh_LogEntry
#define	KIM_LOGGER_OBJECT_NAME   modelRefresh
#define	KIM_LOGGER_FUNCTION_NAME   KIM_ModelComputeArgumentsCreate_LogEntry
#define	KIM_LOGGER_OBJECT_NAME   modelComputeArgumentsCreate
#define	KIM_LOGGER_FUNCTION_NAME   KIM_ModelWriteParameterizedModel_LogEntry
#define	KIM_LOGGER_OBJECT_NAME   modelWriteParameterizedModel

Functions
int	model_driver_create (KIM_ModelDriverCreate *const modelDriverCreate, KIM_LengthUnit const requestedLengthUnit, KIM_EnergyUnit const requestedEnergyUnit, KIM_ChargeUnit const requestedChargeUnit, KIM_TemperatureUnit const requestedTemperatureUnit, KIM_TimeUnit const requestedTimeUnit)
static int	destroy_routine (KIM_ModelDestroy *const modelDestroy)
static int	compute_routine (KIM_ModelCompute const *const modelCompute, KIM_ModelComputeArguments const *const modelComputeArguments)
static int	compute_arguments_create (KIM_ModelCompute const *const modelCompute, KIM_ModelComputeArgumentsCreate *const modelComputeArgumentsCreate)
static int	compute_arguments_destroy (KIM_ModelCompute const *const modelCompute, KIM_ModelComputeArgumentsDestroy *const modelComputeArgumentsDestroy)
static int	refresh_routine (KIM_ModelRefresh *const modelRefresh)
static int	write_parameterized_model (KIM_ModelWriteParameterizedModel const *const modelWriteParameterizedModel)
static void	calc_phi (double const *epsilon, double const *C, double const *Rzero, double const *shift, double const cutoff, double const r, double *phi)
static void	calc_phi_dphi (double const *epsilon, double const *C, double const *Rzero, double const *shift, double const cutoff, double const r, double *phi, double *dphi)

Macro Definition Documentation

DIM

#define DIM   3 /* dimensionality of space */

Definition at line 55 of file ex_model_driver_P_Morse.c.

FALSE

#define FALSE   0

Definition at line 50 of file ex_model_driver_P_Morse.c.

KIM_LOGGER_FUNCTION_NAME [1/5]

#define KIM_LOGGER_FUNCTION_NAME   KIM_ModelCompute_LogEntry

Definition at line 723 of file ex_model_driver_P_Morse.c.

KIM_LOGGER_FUNCTION_NAME [2/5]

#define KIM_LOGGER_FUNCTION_NAME   KIM_ModelDriverCreate_LogEntry

Definition at line 723 of file ex_model_driver_P_Morse.c.

KIM_LOGGER_FUNCTION_NAME [3/5]

#define KIM_LOGGER_FUNCTION_NAME   KIM_ModelRefresh_LogEntry

Definition at line 723 of file ex_model_driver_P_Morse.c.

KIM_LOGGER_FUNCTION_NAME [4/5]

#define KIM_LOGGER_FUNCTION_NAME   KIM_ModelComputeArgumentsCreate_LogEntry

Definition at line 723 of file ex_model_driver_P_Morse.c.

KIM_LOGGER_FUNCTION_NAME [5/5]

#define KIM_LOGGER_FUNCTION_NAME   KIM_ModelWriteParameterizedModel_LogEntry

Definition at line 723 of file ex_model_driver_P_Morse.c.

KIM_LOGGER_OBJECT_NAME [1/5]

#define KIM_LOGGER_OBJECT_NAME   modelCompute

Definition at line 725 of file ex_model_driver_P_Morse.c.

KIM_LOGGER_OBJECT_NAME [2/5]

#define KIM_LOGGER_OBJECT_NAME   modelDriverCreate

Definition at line 725 of file ex_model_driver_P_Morse.c.

KIM_LOGGER_OBJECT_NAME [3/5]

#define KIM_LOGGER_OBJECT_NAME   modelRefresh

Definition at line 725 of file ex_model_driver_P_Morse.c.

KIM_LOGGER_OBJECT_NAME [4/5]

#define KIM_LOGGER_OBJECT_NAME   modelComputeArgumentsCreate

Definition at line 725 of file ex_model_driver_P_Morse.c.

KIM_LOGGER_OBJECT_NAME [5/5]

#define KIM_LOGGER_OBJECT_NAME   modelWriteParameterizedModel

Definition at line 725 of file ex_model_driver_P_Morse.c.

SPEC_NAME_FMT

#define SPEC_NAME_FMT   "%63s"

Definition at line 58 of file ex_model_driver_P_Morse.c.

SPEC_NAME_LEN

#define SPEC_NAME_LEN   64 /* max length of species name string */

Definition at line 57 of file ex_model_driver_P_Morse.c.

SPECCODE

#define SPECCODE   1 /* internal species code */

Definition at line 56 of file ex_model_driver_P_Morse.c.

TRUE

#define TRUE   1

Definition at line 49 of file ex_model_driver_P_Morse.c.

Function Documentation

calc_phi()

static void calc_phi ( double const *  epsilon, double const *  C, double const *  Rzero, double const *  shift, double const  cutoff, double const  r, double *  phi  )

static

Definition at line 122 of file ex_model_driver_P_Morse.c.

calc_phi_dphi()

static void calc_phi_dphi ( double const *  epsilon, double const *  C, double const *  Rzero, double const *  shift, double const  cutoff, double const  r, double *  phi, double *  dphi  )

static

Definition at line 151 of file ex_model_driver_P_Morse.c.

compute_arguments_create()

static int compute_arguments_create ( KIM_ModelCompute const *const  modelCompute, KIM_ModelComputeArgumentsCreate *const  modelComputeArgumentsCreate  )

static

Definition at line 676 of file ex_model_driver_P_Morse.c.

compute_arguments_destroy()

static int compute_arguments_destroy ( KIM_ModelCompute const *const  modelCompute, KIM_ModelComputeArgumentsDestroy *const  modelComputeArgumentsDestroy  )

static

Definition at line 709 of file ex_model_driver_P_Morse.c.

compute_routine()

static int compute_routine ( KIM_ModelCompute const *const  modelCompute, KIM_ModelComputeArguments const *const  modelComputeArguments  )

static

Definition at line 188 of file ex_model_driver_P_Morse.c.

destroy_routine()

static int destroy_routine ( KIM_ModelDestroy *const  modelDestroy )

static

Definition at line 655 of file ex_model_driver_P_Morse.c.

model_driver_create()

int model_driver_create	(	KIM_ModelDriverCreate *const	modelDriverCreate,
		KIM_LengthUnit const	requestedLengthUnit,
		KIM_EnergyUnit const	requestedEnergyUnit,
		KIM_ChargeUnit const	requestedChargeUnit,
		KIM_TemperatureUnit const	requestedTemperatureUnit,
		KIM_TimeUnit const	requestedTimeUnit
	)

Definition at line 385 of file ex_model_driver_P_Morse.c.

refresh_routine()

int refresh_routine ( KIM_ModelRefresh *const  modelRefresh )

static

Definition at line 619 of file ex_model_driver_P_Morse.c.

write_parameterized_model()

static int write_parameterized_model ( KIM_ModelWriteParameterizedModel const *const  modelWriteParameterizedModel )

static

Definition at line 726 of file ex_model_driver_P_Morse.c.