Changeset 32289cd for partem_s.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:

• partem_s.f (modified) (13 diffs)

partem_s.f

@@ -4 +4 @@
 !
 ! 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
@@ -10 +10 @@
 !
 ! **************************************************************
-      
+
       subroutine partem_s(num_rep, nequi, nswp, nmes, nsave, newsta,
      &                     switch)
@@ -20 +20 @@
 !
       include 'INCL.H'
+      
+      double precision gasc, dv, grnd, vr, addang, energ, energy, acz
+      double precision ee, rgy, temp0, delta, ra
+
+      integer i, j, nml, k, nstart, iv, nsw, iswitch, k1, num_rep1, nu
+      integer in, jn
+
       external can_weight
 ! TODO Store global coordinates in pgbpr
@@ -44 +51 @@
 !     ipoi:   Points to replica ipoi(k) which is currently
 !             at inverse temperature pbe(k)
-!     eol:    energy of each replica 
+!     eol:    energy of each replica
 !     acc:    accepatance rate of each replica
 !
@@ -55 +62 @@
       allocate(temp(num_rep), pbe(num_rep), eol(num_rep))
       allocate(acc(num_rep), ipoi(num_rep))
-      
+
       if (.not.(allocated(coor_G).and.allocated(temp)
      &          .and. allocated(pbe).and. allocated(eol)
@@ -77 +84 @@
          ipoi(i) = 0
       end do
-        
+
 
 !     READ IN TEMPERATURES
@@ -90 +97 @@
 
       open(13,file='time.d',status='unknown')
-      
+
       if(.not.newsta) then
 ! READ START Values
@@ -122 +129 @@
                   pgbpr(j, nml, i) = gbpr(j, nml)
                end do
-            end do            
-         end do
-      
+            end do
+         end do
+
 !      Equilibrization for each replica (No replica exchange move)
          do k=1,num_rep
@@ -141 +148 @@
                CALL METROPOLIS(energ,acz,can_weight)
             end do
-            write(*,*) 'Start energy after equilibration for replica:', 
+            write(*,*) 'Start energy after equilibration for replica:',
      &                 k, energ
             do i=1,nvr
@@ -155 +162 @@
          end do
       end if
-            
+
 ! Now begins the simulation with Multiple Markov Chains
       iswitch = 1
@@ -176 +183 @@
             end do
             CALL METROPOLIS(energ,acz,can_weight)
-! 
+!
             if(mod(nsw,nmes).eq.0) then
 ! Measure and store here all quantities you want to analyse later
@@ -195 +202 @@
                end do
             end do
-        
+
             eol(k) = energ
             acc(k) = acz
@@ -214 +221 @@
             j=i+1
             if(i.eq.num_rep) j=1
-            in=ipoi(i)      
+            in=ipoi(i)
             jn=ipoi(j)
             delta=-pbe(i)*eol(jn)-pbe(j)*eol(in)