| # | Line 23 | Line 23 | contains | |
|---|---|---|
| 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 | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |