# | Line 12 | Line 12 | typedef struct{ | |
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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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