root / src / addligne.f90 @ 1
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| 1 | 1 | equemene | SUBROUTINE AddLigne(i,n1,n2,n3,n4,ind_zmat,val_zmat,x,y,z) |
|---|---|---|---|
| 2 | 1 | equemene | |
| 3 | 1 | equemene | use Path_module, only : Nat, KINT, KREAL |
| 4 | 1 | equemene | |
| 5 | 1 | equemene | integer(KINT) :: na,atome(Nat),at,ind_zmat(Nat,5),long |
| 6 | 1 | equemene | real(KREAL) :: x(Nat),y(Nat),z(Nat),fact,val_zmat(Nat,3) |
| 7 | 1 | equemene | |
| 8 | 1 | equemene | real(KREAL) :: vx1,vy1,vz1,norm1 |
| 9 | 1 | equemene | real(KREAL) :: vx2,vy2,vz2,norm2 |
| 10 | 1 | equemene | real(KREAL) :: vx3,vy3,vz3,norm3 |
| 11 | 1 | equemene | real(KREAL) :: vx4,vy4,vz4,norm4 |
| 12 | 1 | equemene | real(KREAL) :: vx5,vy5,vz5,norm5 |
| 13 | 1 | equemene | real(KREAL) :: val,val_d |
| 14 | 1 | equemene | |
| 15 | 1 | equemene | ! WRITE(IOOUT,*) 'Addligne:',i,n1,n2,n3,n4 |
| 16 | 1 | equemene | |
| 17 | 1 | equemene | CALL vecteur(n2,n1,x,y,z,vx1,vy1,vz1,norm1) |
| 18 | 1 | equemene | |
| 19 | 1 | equemene | CALL vecteur(n2,n3,x,y,z,vx2,vy2,vz2,norm2) |
| 20 | 1 | equemene | val=angle(vx1,vy1,vz1,norm1, & |
| 21 | 1 | equemene | vx2,vy2,vz2,norm2) |
| 22 | 1 | equemene | |
| 23 | 1 | equemene | CALL vecteur(n3,n4,x,y,z,vx3,vy3,vz3,norm3) |
| 24 | 1 | equemene | CALL produit_vect(vx1,vy1,vz1,norm1, & |
| 25 | 1 | equemene | vx2,vy2,vz2,norm2, & |
| 26 | 1 | equemene | vx4,vy4,vz4,norm4) |
| 27 | 1 | equemene | CALL produit_vect(vx3,vy3,vz3,norm3, & |
| 28 | 1 | equemene | vx2,vy2,vz2,norm2, & |
| 29 | 1 | equemene | vx5,vy5,vz5,norm5) |
| 30 | 1 | equemene | |
| 31 | 1 | equemene | val_d=angle_d(vx4,vy4,vz4,norm4, & |
| 32 | 1 | equemene | vx5,vy5,vz5,norm5, & |
| 33 | 1 | equemene | vx2,vy2,vz2,norm2) |
| 34 | 1 | equemene | |
| 35 | 1 | equemene | ! write(*,11) n1,n2,norm1,n3,val,n4,val_d |
| 36 | 1 | equemene | 11 format (2(1x,i3),1x,f8.4,2(1x,i3,1x,f8.3)) |
| 37 | 1 | equemene | |
| 38 | 1 | equemene | ind_zmat(i,1)=n1 |
| 39 | 1 | equemene | ind_zmat(i,2)=n2 |
| 40 | 1 | equemene | ind_zmat(i,3)=n3 |
| 41 | 1 | equemene | ind_zmat(i,4)=n4 |
| 42 | 1 | equemene | ind_zmat(i,5)=0 |
| 43 | 1 | equemene | val_zmat(i,1)=norm1 |
| 44 | 1 | equemene | val_zmat(i,2)=val |
| 45 | 1 | equemene | val_zmat(i,3)=val_d |
| 46 | 1 | equemene | |
| 47 | 1 | equemene | ! WRITE(*,*) "Addligne",i,n1,n2,n3,n4,norm1,val,val_d |
| 48 | 1 | equemene | END |
| 49 | 1 | equemene |