Révision 8 src/CalcCnct.f90

CalcCnct.f90 (revision 8)
31 31
SUBROUTINE CalcCnct(na,atome,x,y,z,LIAISONS,r_cov,fact)
32 32

  
33 33
  use Path_module, only : NMaxL, max_Z,Nom,Prog, KINT, KREAL
34
  
35
  IMPLICIT NONE
34 36

  
35 37
  integer(KINT) :: na, atome(Na)
36 38
  real(KREAL) ::  x(Na),y(Na),z(Na),fact
......
44 46

  
45 47
  ! Internals
46 48
  logical(KREAL) ::debug
49
  REAL(KREAL) :: DistTh
50
  INTEGER(KINT) :: I,j,iat
47 51

  
48 52
  INTERFACE
49 53
     function valid(string) result (isValid)
......
53 57
  END INTERFACE
54 58

  
55 59
  debug=valid('calccnct')
56
  if (debug) WRITE(*,*) "======================= Entering CalcCnct ======================="
60
  if (debug)  Call Header (" Entering CalcCnct ")
57 61

  
58 62
  DO i=1,na
59 63
     Liaisons(i,0)=0
......
113 117
        LIAISONS(i,0)=Nbli
114 118
     END DO
115 119
  END IF
116
  if (debug) WRITE(*,*) "======================= CalcCnct  over ======================="
120
  if (debug) Call Header (" CalcCnct over ")
117 121
END SUBROUTINE CalcCnct

Formats disponibles : Unified diff