| # | Line 74 | Line 74 | subroutine makeatype(atp, status) | |
|---|---|---|
| 74 | ident = atp%ident | |
| 75 | is_Directional = (atp%is_Directional .ne. 0) | |
| 76 | is_LennardJones = (atp%is_LennardJones .ne. 0) | |
| 77 | < | is_Electrostatic = (atp%is_Electrostatic .ne. 0) |
| 77 | > | is_Electrostatic = (atp%is_Charge .ne. 0) .and. (atp%is_Dipole .ne. 0) .and. & |
| 78 | > | (atp%is_Quadrupole .ne. 0) |
| 79 | > | |
| 80 | is_Charge = (atp%is_Charge .ne. 0) | |
| 81 | is_Dipole = (atp%is_Dipole .ne. 0) | |
| 82 | is_Sticky = (atp%is_Sticky .ne. 0) | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |