Changeset 2019dff

Timestamp:

11/19/09 11:29:26 (14 years ago)

Author:

baerbaer <baerbaer@…>

Branches:

master

Children:

08edfcf

Parents:

2d5d396

Message:

Explicitly declare variables.

git-svn-id: ​svn+ssh://svn.berlios.de/svnroot/repos/smmp/trunk@27 26dc1dd8-5c4e-0410-9ffe-d298b4865968

Files:

• contacts.f (modified) (3 diffs)
• hbond.f (modified) (5 diffs)
• minim.f (modified) (2 diffs)
• opeshe.f (modified) (2 diffs)

contacts.f

@@ -26 +26 @@
 !f2py integer, intent(out) :: ncn, nham2 
 !f2py double precistion, intent(out) :: dham
+      integer ncn
+
+      integer nham2
+
+      double precision dham
+
+      integer i, j, nham, ncode, nresi
 
       call c_cont(1,ncode)
@@ -73 +80 @@
 
       include 'INCL.H'
+      integer nmol
+
+      integer ncode, ia, n_res
               
       do n_res=irsml1(nmol),irsml2(nmol) ! Over res. 
@@ -128 +138 @@
 
        include 'INCL.H'
+      integer nmol
+
+      double precision rcut, rij2
+
+      integer ncode, ic, ialf, jalf, nr_j, nr_i
 
        rcut=8.5   ! Domany

hbond.f

@@ -32 +32 @@
 
       include 'INCL.H'
+
+      integer nml
+
+      integer mhb
+
+      integer nursat
+      double precision atbase
+
+      integer ipr, i2s, i, i14, i1, i1s, i2, ia, ixhb, id, ifivr, ii, ih
+      integer ims, io, iv, ivw, ix, k, jj, j, n, na, nd, ntlvr, iat
 
 !f2py intent(out) mhb  
@@ -211 +221 @@
       
       integer*4 mhb
+      integer iml, ires, jml, jat, jres
+
+      integer ia, iat, ih
+      
       mhb = 0
       do iml = 1, ntlml
@@ -237 +251 @@
 
       include 'INCL.H'
-
+      integer i
+
+      integer j
+
+      integer ih
+
+      integer ia, ib, id, ihb
+      
+      double precision valang
+      
+      double precision cdah, cdad, adab, adha, ahab, dah, dad
+            
       ihb = ihbty(ityat(i),ityat(j))
 
@@ -291 +316 @@
 
       include 'INCL.H'
-
+      double precision cdah, cang, cahb, cdad
+      integer i
+
+      integer j
+
+      integer ih
+
+      integer ia, ib, id, ihb
+ 
+      double precision valang
+ 
       parameter (cdad=3.9d0,
      &           cdah=2.5d0,
@@ -351 +386 @@
 
       include 'INCL.H'
-
+      integer i
+
+      integer j
+
+      integer ih
+
+      double precision cahb, cdah, cang, valang
+
+      integer ia, ihb, id
       parameter (cdah=2.5d0,
      &           cang=140.d0)

minim.f

@@ -29 +29 @@
 !f2py intent(in) maxit
 !f2py intent(in) eps
+      integer msvmx
+
+      integer imin
+
+      integer maxit
+      
+      integer nursvr
+      double precision energy, difang
+            
+      integer ngbvr, msv, i, j, mxop, n6, n3, n, n1, n2, n5, n4
+      integer ntlvr, nop, nv
+      
+      double precision eps, acc, esm, gdey2, gbpro, gdvr, gdrg2, scl
+      double precision vlvrn, w, vlvro, vr      
+      
       parameter (msvmx=mxvr*(mxvr+5)/(2*(2*mxvr+1)),   
      &            msv  = 50 )                             
@@ -250 +265 @@
 !
       include 'INCL.H'
-
+      integer ngbvr
+
+      integer nop
+
+      integer nvr1
+
+      double precision esm
+
+      double precision vlvrn
+
+      double precision gdvr, gdsmey, gdsmrg
+
+      integer i, ii, j, ntlvr, n
+      
       dimension vlvrn(mxvr),gdvr(mxvr)
 

opeshe.f

@@ -26 +26 @@
 
       include 'INCL.H'
+      
+      double precision eyds, c, cqi, e0, deel, eel, ep, ex, ey, eyrp, xb
+      double precision rij2, ez, fvr, rij, rij6, rij4, sr, sr2, vr, vrn
+      double precision xfat, xi, xfrvr, xfiv, xfi, xfji, xfriv, xfvr
+      double precision yfji, xsr, xij, yb, yfi, yfat, yfiv, zfriv, yi
+      double precision yfvr, yfriv, yfrvr, yij, zfat, zb, zfi, zfji
+      double precision zfiv, zfvr, zfrvr, zi, zij, del
+
+      integer nml, i, i2, i1, i1a, i14, i1s, i2s, i2a, iad, ia, ib, ic
+      integer ifivr, ilavr, ims, io, ity, it, iv, ivw, lad, j, jty
+      integer ntlvr
 
       dimension xfat(mxat),yfat(mxat),zfat(mxat),
@@ -332 +343 @@
 
       include 'INCL.H'
-
+      
+      integer nml
+
+      double precision del, eynw, eyol, gda, gdn, ovr, vlvrx
+      double precision enyshe
+
+      integer iv, i, it
+      
       parameter (del=1.d-7)