#include "KIM_LogMacros.h"
#include "KIM_ModelDriverHeaders.h"
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
Go to the source code of this file.
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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) |
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static int | destroy_routine (KIM_ModelDestroy *const modelDestroy) |
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static int | compute_routine (KIM_ModelCompute const *const modelCompute, KIM_ModelComputeArguments const *const modelComputeArguments) |
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static int | compute_arguments_create (KIM_ModelCompute const *const modelCompute, KIM_ModelComputeArgumentsCreate *const modelComputeArgumentsCreate) |
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static int | compute_arguments_destroy (KIM_ModelCompute const *const modelCompute, KIM_ModelComputeArgumentsDestroy *const modelComputeArgumentsDestroy) |
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static int | refresh_routine (KIM_ModelRefresh *const modelRefresh) |
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static int | write_parameterized_model (KIM_ModelWriteParameterizedModel const *const modelWriteParameterizedModel) |
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static void | calc_phi (double const *epsilon, double const *C, double const *Rzero, double const *shift, double const cutoff, double const r, double *phi) |
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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) |
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◆ DIM
#define DIM 3 /* dimensionality of space */ |
◆ FALSE
◆ KIM_LOGGER_FUNCTION_NAME [1/5]
◆ KIM_LOGGER_FUNCTION_NAME [2/5]
◆ KIM_LOGGER_FUNCTION_NAME [3/5]
◆ KIM_LOGGER_FUNCTION_NAME [4/5]
◆ KIM_LOGGER_FUNCTION_NAME [5/5]
◆ KIM_LOGGER_OBJECT_NAME [1/5]
#define KIM_LOGGER_OBJECT_NAME modelCompute |
◆ KIM_LOGGER_OBJECT_NAME [2/5]
#define KIM_LOGGER_OBJECT_NAME modelDriverCreate |
◆ KIM_LOGGER_OBJECT_NAME [3/5]
#define KIM_LOGGER_OBJECT_NAME modelRefresh |
◆ KIM_LOGGER_OBJECT_NAME [4/5]
#define KIM_LOGGER_OBJECT_NAME modelComputeArgumentsCreate |
◆ KIM_LOGGER_OBJECT_NAME [5/5]
#define KIM_LOGGER_OBJECT_NAME modelWriteParameterizedModel |
◆ SPEC_NAME_FMT
#define SPEC_NAME_FMT "%63s" |
◆ SPEC_NAME_LEN
#define SPEC_NAME_LEN 64 /* max length of species name string */ |
◆ SPECCODE
#define SPECCODE 1 /* internal species code */ |
◆ TRUE
◆ calc_phi()
static void calc_phi |
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double const * |
epsilon, |
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double const * |
C, |
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double const * |
Rzero, |
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double const * |
shift, |
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double const |
cutoff, |
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double const |
r, |
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double * |
phi |
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static |
◆ calc_phi_dphi()
static void calc_phi_dphi |
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double const * |
epsilon, |
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double const * |
C, |
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double const * |
Rzero, |
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double const * |
shift, |
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double const |
cutoff, |
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double const |
r, |
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double * |
phi, |
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double * |
dphi |
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static |
◆ compute_arguments_create()
◆ compute_arguments_destroy()
◆ compute_routine()
◆ destroy_routine()
◆ model_driver_create()
◆ refresh_routine()
◆ write_parameterized_model()