# | Line 23 | Line 23 | contains | |
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23 | rt = this_rt | |
24 | rrfsq = rrf * rrf | |
25 | ! pre converts from mu in units of debye to kcal/mol | |
26 | < | pre = 14.38362d0 |
26 | > | pre = 14.38362_dp |
27 | ||
28 | dipole_initialized = .true. | |
29 | ||
# | Line 81 | Line 81 | contains | |
81 | ||
82 | call getElementProperty(atypes, me1, "dipole_moment", mu1) | |
83 | call getElementProperty(atypes, me2, "dipole_moment", mu2) | |
84 | < | |
84 | > | |
85 | if (rij.le.rrf) then | |
86 | ||
87 | if (rij.lt.rt) then |
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> | Changed lines |