make cp src-HCD-5D

[unres.git] / source / unres / src-HCD-5D / rattle.F

diff --git a/source/unres/src-HCD-5D/rattle.F b/source/unres/src-HCD-5D/rattle.F
index 5a8ed0c..b044396 100644 (file)
--- a/source/unres/src-HCD-5D/rattle.F
+++ b/source/unres/src-HCD-5D/rattle.F
@@ -1,23 +1,32 @@
       subroutine rattle1
 c RATTLE algorithm for velocity Verlet - step 1, UNRES
 c AL 9/24/04
-      implicit real*8 (a-h,o-z)
+      implicit none
       include 'DIMENSIONS'
+      include 'COMMON.IOUNITS'
 #ifdef RATTLE
       include 'COMMON.CONTROL'
       include 'COMMON.VAR'
       include 'COMMON.MD'
+#ifdef FIVEDIAG
+       include 'COMMON.LAGRANGE.5diag'
+#else
+       include 'COMMON.LAGRANGE'
+#endif
 #ifndef LANG0
       include 'COMMON.LANGEVIN'
 #else
+#ifdef FIVEDIAG
+      include 'COMMON.LANGEVIN.lang0.5diag'
+#else
       include 'COMMON.LANGEVIN.lang0'
 #endif
+#endif
       include 'COMMON.CHAIN'
       include 'COMMON.DERIV'
       include 'COMMON.GEO'
       include 'COMMON.LOCAL'
       include 'COMMON.INTERACT'
-      include 'COMMON.IOUNITS'
       include 'COMMON.NAMES'
       include 'COMMON.TIME1'
       double precision gginv(maxres2,maxres2),
@@ -275,17 +284,27 @@ c------------------------------------------------------------------------------
       subroutine rattle2
 c RATTLE algorithm for velocity Verlet - step 2, UNRES
 c AL 9/24/04
-      implicit real*8 (a-h,o-z)
+      implicit none
       include 'DIMENSIONS'
+      include 'COMMON.IOUNITS'
 #ifdef RATTLE
       include 'COMMON.CONTROL'
       include 'COMMON.VAR'
       include 'COMMON.MD'
+#ifdef FIVEDIAG
+       include 'COMMON.LAGRANGE.5diag'
+#else
+       include 'COMMON.LAGRANGE'
+#endif
 #ifndef LANG0
       include 'COMMON.LANGEVIN'
 #else
+#ifdef FIVEDIAG
+      include 'COMMON.LANGEVIN.lang0.5diag'
+#else
       include 'COMMON.LANGEVIN.lang0'
 #endif
+#endif
       include 'COMMON.CHAIN'
       include 'COMMON.DERIV'
       include 'COMMON.GEO'
@@ -458,11 +477,20 @@ c AL 9/24/04
       include 'COMMON.CONTROL'
       include 'COMMON.VAR'
       include 'COMMON.MD'
+#ifdef FIVEDIAG
+       include 'COMMON.LAGRANGE.5diag'
+#else
+       include 'COMMON.LAGRANGE'
+#endif
 #ifndef LANG0
       include 'COMMON.LANGEVIN'
 #else
+#ifdef FIVEDIAG
+      include 'COMMON.LANGEVIN.lang0.5diag'
+#else
       include 'COMMON.LANGEVIN.lang0'
 #endif
+#endif
       include 'COMMON.CHAIN'
       include 'COMMON.DERIV'
       include 'COMMON.GEO'