| # | Line 104 | Line 104 | class Atom{ (public) | |
|---|---|---|
| 104 | ||
| 105 | void seVDW( void ) { is_VDW = 1; is_LJ = 0; } | |
| 106 | int isVDW( void ) { return is_VDW; } | |
| 107 | + | |
| 108 | + | void setEAM( void ) { is_EAM = 1; } |
| 109 | + | int isEAM( void ) { return is_EAM; } |
| 110 | ||
| 111 | virtual int isDirectional( void ) = 0; | |
| 112 | ||
| # | Line 131 | Line 134 | class Atom{ (public) | |
| 134 | int has_dipole; // dipole boolean | |
| 135 | int is_VDW; // VDW boolean | |
| 136 | int is_LJ; // LJ boolean | |
| 137 | + | int is_EAM; //EAM boolean |
| 138 | ||
| 139 | #ifdef IS_MPI | |
| 140 | int myGlobalIndex; | |
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