kim-api
2.3.0+v2.3.0.GNU.GNU.
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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#include <LennardJones612.hpp>
Public Member Functions | |
LennardJones612 (KIM::ModelDriverCreate *const modelDriverCreate, KIM::LengthUnit const requestedLengthUnit, KIM::EnergyUnit const requestedEnergyUnit, KIM::ChargeUnit const requestedChargeUnit, KIM::TemperatureUnit const requestedTemperatureUnit, KIM::TimeUnit const requestedTimeUnit, int *const ier) | |
~LennardJones612 () | |
Static Public Member Functions | |
static int | Destroy (KIM::ModelDestroy *const modelDestroy) |
static int | Refresh (KIM::ModelRefresh *const modelRefresh) |
static int | Compute (KIM::ModelCompute const *const modelCompute, KIM::ModelComputeArguments const *const modelComputeArguments) |
static int | ComputeArgumentsCreate (KIM::ModelCompute const *const modelCompute, KIM::ModelComputeArgumentsCreate *const modelComputeArgumentsCreate) |
static int | ComputeArgumentsDestroy (KIM::ModelCompute const *const modelCompute, KIM::ModelComputeArgumentsDestroy *const modelComputeArgumentsDestroy) |
Definition at line 44 of file LennardJones612.hpp.
LennardJones612::LennardJones612 | ( | KIM::ModelDriverCreate *const | modelDriverCreate, |
KIM::LengthUnit const | requestedLengthUnit, | ||
KIM::EnergyUnit const | requestedEnergyUnit, | ||
KIM::ChargeUnit const | requestedChargeUnit, | ||
KIM::TemperatureUnit const | requestedTemperatureUnit, | ||
KIM::TimeUnit const | requestedTimeUnit, | ||
int *const | ier | ||
) |
Definition at line 83 of file LennardJones612.cpp.
LennardJones612::~LennardJones612 | ( | ) |
Definition at line 102 of file LennardJones612.cpp.
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Definition at line 133 of file LennardJones612.cpp.
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Definition at line 146 of file LennardJones612.cpp.
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Definition at line 159 of file LennardJones612.cpp.
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Definition at line 106 of file LennardJones612.cpp.
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Definition at line 123 of file LennardJones612.cpp.