root / src / Annul.f90 @ 10
Historique | Voir | Annoter | Télécharger (418 octet)
| 1 | 1 | pfleura2 | |
|---|---|---|---|
| 2 | 1 | pfleura2 | SUBROUTINE Annul(Liaisons,at,atli) |
| 3 | 1 | pfleura2 | ! Cette routine supprime l'atome atli dans les liaisons de at |
| 4 | 1 | pfleura2 | use Path_module, only : Nat, NMaxL |
| 5 | 1 | pfleura2 | |
| 6 | 1 | pfleura2 | INTEGER(4) :: Liaisons(Nat,0:NMaxL),At,Atli,I,J |
| 7 | 1 | pfleura2 | I=1 |
| 8 | 1 | pfleura2 | Do WHILE ((Liaisons(at,I).NE.Atli).AND.(I.LE.Liaisons(at,0))) |
| 9 | 1 | pfleura2 | I=I+1 |
| 10 | 1 | pfleura2 | END DO |
| 11 | 1 | pfleura2 | Do J=I,NMaxL-1 |
| 12 | 1 | pfleura2 | Liaisons(at,J)=Liaisons(at,J+1) |
| 13 | 1 | pfleura2 | END DO |
| 14 | 1 | pfleura2 | Liaisons(at,NMaxL)=0 |
| 15 | 1 | pfleura2 | END |