| # | Line 12 | Line 12 | typedef struct{ | |
|---|---|---|
| 12 | double rcut; | |
| 13 | double rrf; | |
| 14 | double rt; | |
| 15 | + | double dielect; |
| 16 | int SIM_uses_PBC; | |
| 17 | int SIM_uses_LJ; | |
| 18 | int SIM_uses_sticky; | |
| # | Line 38 | Line 39 | type, public :: simtype | |
| 39 | real ( kind = dp ) :: rrf = 0.0_dp | |
| 40 | !! Taper radius for dipole and reaction field switching function | |
| 41 | real ( kind = dp ) :: rt = 0.0_dp | |
| 42 | + | !! Dielectric Constant for reaction field |
| 43 | + | real ( kind = dp ) :: dielect = 0.0_dp |
| 44 | !! Periodic Boundry Conditions | |
| 45 | logical :: SIM_uses_PBC | |
| 46 | logical :: SIM_uses_LJ | |
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