removed obsolite code in ssMD.F files
authorDawid Jagiela <lightnir@chem.univ.gda.pl>
Tue, 26 May 2015 02:35:42 +0000 (04:35 +0200)
committerDawid Jagiela <lightnir@chem.univ.gda.pl>
Tue, 26 May 2015 02:35:42 +0000 (04:35 +0200)
source/cluster/wham/src-M/CMakeLists.txt
source/cluster/wham/src-M/ssMD.F
source/unres/src_MD-M/CMakeLists.txt
source/unres/src_MD-M/ssMD.F
source/unres/src_MD/CMakeLists.txt
source/unres/src_MD/ssMD.F

index 395c007..37d1ef8 100644 (file)
@@ -37,11 +37,11 @@ set(UNRES_CLUSTER_WHAM_M_SRC0
        rescode.f
        setup_var.f
        srtclust.f
+    ssMD.F
        timing.F
        track.F
        wrtclust.f
        work_partition.F
-        ssMD.F
 )
 
 set(UNRES_CLUSTER_WHAM_M_PP_SRC
@@ -53,6 +53,7 @@ set(UNRES_CLUSTER_WHAM_M_PP_SRC
        probabl.F
        read_coords.F
        readrtns.F
+    ssMD.F
        timing.F
        track.F
        work_partition.F
index 5080b18..bb95eef 100644 (file)
@@ -658,41 +658,6 @@ c     &       "SSBOND_FORM",totT,t_bath,newihpb(i),newjhpb(i)
       return
       end
 
-c----------------------------------------------------------------------------
-
-#ifdef WHAM
-      subroutine read_ssHist
-      implicit none
-
-c     Includes
-      include 'DIMENSIONS'
-      include "DIMENSIONS.FREE"
-      include 'COMMON.FREE'
-
-c     Local variables
-      integer i,j
-      character*80 controlcard
-
-      do i=1,dyn_nssHist
-        call card_concat(controlcard,.true.)
-        read(controlcard,*)
-     &       dyn_ssHist(i,0),(dyn_ssHist(i,j),j=1,2*dyn_ssHist(i,0))
-      enddo
-
-      return
-      end
-#endif
-
-c----------------------------------------------------------------------------
-
-
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
 
 c$$$c-----------------------------------------------------------------------------
 c$$$
index 06242b7..486a344 100644 (file)
@@ -81,6 +81,7 @@ set(UNRES_MDM_SRC0
        sc_move.F 
        shift.F
        sort.f 
+       ssMD.F
        stochfric.F 
        sumsld.f 
        surfatom.f 
@@ -89,7 +90,6 @@ set(UNRES_MDM_SRC0
        timing.F
        together.F
        unres.F
-       ssMD.F
 )
 
 set(UNRES_MDM_SRC3 energy_p_new_barrier.F energy_p_new-sep_barrier.F gradient_p.F )
@@ -142,6 +142,7 @@ set(UNRES_MDM_PP_SRC
        rmsd.F 
        sc_move.F
        shift.F 
+       ssMD.F
        stochfric.F
        sumsld.f 
        test.F 
index 8b7f2a4..30fc811 100644 (file)
@@ -655,38 +655,7 @@ c     &       "SSBOND_FORM",totT,t_bath,newihpb(i),newjhpb(i)
       return
       end
 
-c----------------------------------------------------------------------------
-
-#ifdef WHAM
-      subroutine read_ssHist
-      implicit none
-
-c     Includes
-      include 'DIMENSIONS'
-      include "DIMENSIONS.FREE"
-      include 'COMMON.FREE'
 
-c     Local variables
-      integer i,j
-      character*80 controlcard
-
-      do i=1,dyn_nssHist
-        call card_concat(controlcard,.true.)
-        read(controlcard,*)
-     &       dyn_ssHist(i,0),(dyn_ssHist(i,j),j=1,2*dyn_ssHist(i,0))
-      enddo
-
-      return
-      end
-#endif
-
-c----------------------------------------------------------------------------
-
-
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
 C-----------------------------------------------------------------------------
 C-----------------------------------------------------------------------------
 C-----------------------------------------------------------------------------
index 052a7c9..a228d16 100644 (file)
@@ -72,6 +72,7 @@ set(UNRES_MD_SRC0
        rmsd.F 
        sc_move.F 
        sort.f 
+       ssMD.F
        stochfric.F 
        sumsld.f 
        surfatom.f 
@@ -79,7 +80,6 @@ set(UNRES_MD_SRC0
        timing.F
        thread.F 
        unres.F
-       ssMD.F
 )
 
 set(UNRES_MD_SRC3 
@@ -122,6 +122,7 @@ set(UNRES_MD_PP_SRC
        regularize.F 
        rmsd.F 
        sc_move.F 
+       ssMD.F
        stochfric.F 
        test.F 
        thread.F 
index eab3c70..9c4bfd3 100644 (file)
@@ -655,41 +655,6 @@ cmc      write(iout,*)"NEWNSS ",newnss,(newihpb(i),newjhpb(i),i=1,newnss)
       return
       end
 
-c----------------------------------------------------------------------------
-
-#ifdef WHAM
-      subroutine read_ssHist
-      implicit none
-
-c     Includes
-      include 'DIMENSIONS'
-      include "DIMENSIONS.FREE"
-      include 'COMMON.FREE'
-
-c     Local variables
-      integer i,j
-      character*80 controlcard
-
-      do i=1,dyn_nssHist
-        call card_concat(controlcard,.true.)
-        read(controlcard,*)
-     &       dyn_ssHist(i,0),(dyn_ssHist(i,j),j=1,2*dyn_ssHist(i,0))
-      enddo
-
-      return
-      end
-#endif
-
-c----------------------------------------------------------------------------
-
-
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
 
 c$$$c-----------------------------------------------------------------------------
 c$$$