kim-api-v2
2.0.1+cc5c14a.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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Go to the source code of this file.
Classes | |
struct | KIM_ComputeArgumentName |
An Extensible Enumeration for the ComputeArgumentName's supported by the KIM API. More... | |
Typedefs | |
typedef struct KIM_DataType | KIM_DataType |
Forward declaration. More... | |
typedef struct KIM_ComputeArgumentName | KIM_ComputeArgumentName |
Convenience typedef. More... | |
Functions | |
KIM_ComputeArgumentName | KIM_ComputeArgumentName_FromString (char const *const str) |
Create a ComputeArgumentName object corresponding to the provided string. If the string does not match one of the values defined by the KIM API, then an "unknown" object is generated. More... | |
int | KIM_ComputeArgumentName_Known (KIM_ComputeArgumentName const computeArgumentName) |
Determines if the object is a quantity known to the KIM API. More... | |
int | KIM_ComputeArgumentName_Equal (KIM_ComputeArgumentName const lhs, KIM_ComputeArgumentName const rhs) |
Compares ComputeArgumentName objects for equality. More... | |
int | KIM_ComputeArgumentName_NotEqual (KIM_ComputeArgumentName const lhs, KIM_ComputeArgumentName const rhs) |
Compares ComputeArgumentName objects for inequality. More... | |
char const * | KIM_ComputeArgumentName_ToString (KIM_ComputeArgumentName const computeArgumentName) |
Converts the object to a string. More... | |
void | KIM_COMPUTE_ARGUMENT_NAME_GetNumberOfComputeArgumentNames (int *const numberOfComputeArgumentNames) |
Get the number of standard ComputeArgumentName's defined by the KIM API. More... | |
int | KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentName (int const index, KIM_ComputeArgumentName *const computeArgumentName) |
Get the identity of each defined standard ComputeArgumentName. More... | |
int | KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentDataType (KIM_ComputeArgumentName const computeArgumentName, KIM_DataType *const dataType) |
Get the DataType of each defined standard ComputeArgumentName. More... | |
typedef struct KIM_ComputeArgumentName KIM_ComputeArgumentName |
typedef struct KIM_DataType KIM_DataType |
int KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentDataType | ( | KIM_ComputeArgumentName const | computeArgumentName, |
KIM_DataType *const | dataType | ||
) |
Get the DataType of each defined standard ComputeArgumentName.
int KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentName | ( | int const | index, |
KIM_ComputeArgumentName *const | computeArgumentName | ||
) |
Get the identity of each defined standard ComputeArgumentName.
void KIM_COMPUTE_ARGUMENT_NAME_GetNumberOfComputeArgumentNames | ( | int *const | numberOfComputeArgumentNames | ) |
Get the number of standard ComputeArgumentName's defined by the KIM API.
int KIM_ComputeArgumentName_Equal | ( | KIM_ComputeArgumentName const | lhs, |
KIM_ComputeArgumentName const | rhs | ||
) |
Compares ComputeArgumentName objects for equality.
KIM_ComputeArgumentName KIM_ComputeArgumentName_FromString | ( | char const *const | str | ) |
Create a ComputeArgumentName object corresponding to the provided string. If the string does not match one of the values defined by the KIM API, then an "unknown" object is generated.
int KIM_ComputeArgumentName_Known | ( | KIM_ComputeArgumentName const | computeArgumentName | ) |
Determines if the object is a quantity known to the KIM API.
int KIM_ComputeArgumentName_NotEqual | ( | KIM_ComputeArgumentName const | lhs, |
KIM_ComputeArgumentName const | rhs | ||
) |
Compares ComputeArgumentName objects for inequality.
char const* KIM_ComputeArgumentName_ToString | ( | KIM_ComputeArgumentName const | computeArgumentName | ) |
Converts the object to a string.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_coordinates |
The standard coordinates
argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_numberOfParticles |
The standard numberOfParticles
argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialEnergy |
The standard partialEnergy
argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialForces |
The standard partialForces
argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy |
The standard partialParticleEnergy
argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial |
The standard partialParticleVirial
argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_partialVirial |
The standard partialVirial
argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_particleContributing |
The standard particleContributing
argument.
KIM_ComputeArgumentName const KIM_COMPUTE_ARGUMENT_NAME_particleSpeciesCodes |
The standard particleSpeciesCodes
argument.