| /// \file |
| /// Compute forces for the Embedded Atom Model (EAM). |
| |
| #ifndef __EAM_H |
| #define __EAM_H |
| |
| #include "mytype.h" |
| |
| struct BasePotentialSt; |
| struct LinkCellSt; |
| |
| /// Pointers to the data that is needed in the load and unload functions |
| /// for the force halo exchange. |
| /// \see loadForceBuffer |
| /// \see unloadForceBuffer |
| typedef struct ForceExchangeDataSt |
| { |
| real_t* dfEmbed; //<! derivative of embedding energy |
| struct LinkCellSt* boxes; |
| }ForceExchangeData; |
| |
| struct BasePotentialSt* initEamPot(const char* dir, const char* file, const char* type); |
| #endif |
