| # | Line 9 | Line 9 | typedef struct{ | |
|---|---|---|
| 9 | RealType,int,char. | |
| 10 | */ | |
| 11 | typedef struct{ | |
| 12 | – | RealType dielect; |
| 12 | int SIM_uses_PBC; | |
| 13 | int SIM_uses_DirectionalAtoms; | |
| 14 | int SIM_uses_LennardJones; | |
| # | Line 37 | Line 36 | typedef struct{ | |
| 36 | type, public :: simtype | |
| 37 | PRIVATE | |
| 38 | SEQUENCE | |
| 40 | – | !! Dielectric Constant for reaction field |
| 41 | – | real ( kind = dp ) :: dielect = 0.0_dp |
| 39 | !! Periodic Boundry Conditions | |
| 40 | logical :: SIM_uses_PBC | |
| 41 | logical :: SIM_uses_DirectionalAtoms | |
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