Initial commit

1 files changed, 24 insertions, 0 deletions

diff --git a/Sunder.f b/Sunder.f
new file mode 100755
index 0000000..8bf956b
--- /dev/null
+++ b/Sunder.f
@@ -0,0 +1,24 @@
+
+      subroutine sunder (amol,i1,i2)
+c******************************************************************************
+c     This routine breaks up molecule amol into leftmost atom i1 and        
+c     the rest of the molecule i2                                           
+c******************************************************************************
+
+      implicit real*8 (a-h,o-z)
+      dimension itest(5)          
+      data itest/100000000,1000000,10000,100,1/ 
+
+      im = nint(amol)
+
+      do i=1,5                              
+         i1 = im/itest(i)                       
+         if (i1 .eq. 0) cycle
+         i2 = im - i1*itest(i)                
+         exit
+      enddo
+
+      return                       
+
+      end                                      
+