%include functionality added

src/iochamp.f90

@@ -242,13 +242,18 @@ PROGRAM iochamp
     enddo
   endif
 
+  write(6,'(A)')  
+
+  write(6,*) '------------------------------------------------------'
+
+
 
   if (fdf_block('inline_xyz2', bfdf)) then
     !   Forward reading 
-        write(6,*) 'Reading an inline_xyz block  '
+        write(6,*) 'Reading an inline_xyz2 block  '
         ia = 1
     
-        do while((fdf_bline(bfdf, pline)) .and. (ia .le. na))
+        do while(fdf_bline(bfdf, pline))
     
           if (pline%ntokens == 1) then      
             number_of_atoms = fdf_bintegers(pline, 1)
@@ -265,7 +270,7 @@ PROGRAM iochamp
           endif
         enddo
     
-        write(6,*) 'Inline XYZ Coordinates block:'
+        write(6,*) 'Inline XYZ2 Coordinates block:'
         do ia= 1, na
           write(6,'(A4,3F10.6)') symbol(ia), (xa(i,ia),i=1,3)
         enddo

src/temp.fdf

@@ -0,0 +1,10 @@
+%block inline_xyz2 
+6
+
+C    3.402   0.773  -9.252 
+C    4.697   0.791  -8.909 
+H    2.933  -0.150  -9.521 
+H    2.837   1.682  -9.258 
+H    5.262  -0.118  -8.904 
+H    5.167   1.714  -8.641 
+%endblock inline_xyz2

src/test-champ.inp

@@ -40,7 +40,7 @@ energy_tol 	0.004
 # An alternative way to provide coordinates
 
 %block Coordinates
-  C    0.00000    1.40272    0
+  C    0.00000    1.40272    0   # can have comments in between or after the data  
   H    0.00000    2.49029    0
   C   -1.21479    0.70136    0
   H   -2.15666    1.24515    0
@@ -65,23 +65,19 @@ hypothetical molecule
 %endblock inline_xyz
 
 
-## Example explaining the optional comment line in xyz files
-
-%block inline_xyz2 
-3
-
-O   0   0.00000    0.11779
-H   0   0.75545   -0.47116
-H   0  -0.75545   -0.47116
-%endblock inline_xyz2
-
 
 ###  Read molecule's geometry directly from the xyz file
 
-%block molecule < "caffeine.xyz"
+%block molecule < caffeine.xyz
 
 
 
 ### Two blocks with the same name not supported. Ignored without warning
 
 %block molecule < "benzene.xyz"
+
+
+
+## To include another file having fdf syntax
+
+%include temp.fdf