Changeset 32289cd for rmsdfun.f

Timestamp:

11/19/09 11:29:41 (14 years ago)

Author:

baerbaer <baerbaer@…>

Branches:

master

Children:

38d77eb

Parents:

6650a56

Message:

Explicitly declare variables.

git-svn-id: ​svn+ssh://svn.berlios.de/svnroot/repos/smmp/trunk@33 26dc1dd8-5c4e-0410-9ffe-d298b4865968

File:

• rmsdfun.f (modified) (8 diffs)

rmsdfun.f

@@ -5 +5 @@
 !
 ! Copyright 2003-2005  Frank Eisenmenger, U.H.E. Hansmann,
-!                      Shura Hayryan, Chin-Ku 
+!                      Shura Hayryan, Chin-Ku
 ! Copyright 2007       Frank Eisenmenger, U.H.E. Hansmann,
 !                      Jan H. Meinke, Sandipan Mohanty
@@ -26 +26 @@
 !
 ! Input
+      double precision xrf, yrf, zrf, rm, av1, av2, rssd
+
+      integer nml, ir1, ir2, ixat, isl
+
       dimension ixat(mxat),xrf(mxatp),yrf(mxatp),zrf(mxatp)
 ! Local
@@ -57 +61 @@
 !
 !      NB  uncomment last lines in 'fitmol' to return coordinates
-!          in 'x2' after fitting the ref. str. onto SMMP structure 
+!          in 'x2' after fitting the ref. str. onto SMMP structure
 ! ----------------------------------------------------------------
 
       include 'INCL.H'
       include 'INCP.H'
+      
+      double precision x1, x2, xrf, yrf, zrf, rm, av1, av2, rmsd
+
+      integer nml, nr, na, n, im, ir, ia, ir1, ir2, ix, ixat, isl
+
 
 !-------------------------------------------------------- input
@@ -147 +156 @@
 ! .......................................................
 !f2py intent(out) rmsd
-                    
+
       include 'INCL.H'
 !      implicit real*8 (a-h,o-z)
 !      implicit integer*4 (i-n)
- 
+
 ! ------------------------------------------- input/output
+      double precision dn, a1, a2, x1, x2, q, dm, dp, dxm, dym, dzm, dxp
+      double precision dyp, dzp, e, v, em, rmsd, rm
+
+      integer n, i, j, ndim4, im
+
       dimension x1(3,mxat),x2(3,mxat)
 ! -------------------------------------------------- local
@@ -270 +284 @@
 !f2py intent(out) d
 !f2py intent(out) v
+      integer nmax
+
       parameter (NMAX=500)
-      
+
       integer n,nrot,i,ip,iq,j
 
@@ -398 +414 @@
 !
 !------------------------------------------------------------------------------
-! Reads in pdb-file 'string' into INCP.H and initalizes 
+! Reads in pdb-file 'string' into INCP.H and initalizes
 ! the files that 'rmdsopt' needs to calculate the rmsd
 ! of a configuration with the pdb-configuration
@@ -409 +425 @@
       include 'INCP.H'
 
+      integer i, nml, ier
+
       character string*(*)
- 
+
       if(string.eq.'smmp') then
 !
@@ -428 +446 @@
 !
          call pdbread(string,ier)
-         if(ier.ne.0) stop 
+         if(ier.ne.0) stop
          call atixpdb(nml)
 !