Add velocity reading to pycac_out files and fix to interp_atoms

src/elements.f90

@@ -432,8 +432,8 @@ module elements
         character(len=*), intent(in) :: type !The type of element that it is
         integer, intent(in) :: esize !The number of atoms per side
         integer, intent(in) :: lat_type !The integer lattice type of the element
-        real(kind=dp), dimension(3,max_basisnum, max_ng_node), intent(in) :: r_in !Nodal positions
+        real(kind=dp), dimension(:,:,:), intent(in) :: r_in !Nodal positions
-        integer, dimension(max_basisnum*max_esize**3), intent(out) :: type_interp !Interpolated atomic positions
+        integer, dimension(:), intent(out) :: type_interp !Interpolated atomic positions
         real(kind=dp), dimension(3, max_basisnum*max_esize**3), intent(out) :: r_interp !Interpolated atomic positions
         real(kind = dp), optional, intent(in) :: eng(max_basisnum, max_ng_node), f(3, max_basisnum, max_ng_node), &
                                                  v(6, max_basisnum, max_ng_node)
@@ -462,6 +462,7 @@ module elements
             lat_type_temp = lat_type
         end select
 
+
         select case(trim(adjustl(type)))
         case('fcc','bcc')
             !Now loop over all the possible sites

src/io.f90

@@ -1088,11 +1088,13 @@ module io
         if(in_atoms > 0 ) then
             !Read atom header
             read(11,'(a)') line
+            if(tok_count(line) > 18) then 
                 read(line, *) (textholder, i=1, 18) 
                 if(textholder=="velx") then 
                     call alloc_vel_arrays(in_eles, in_atoms)
                     read_vel = .true.
                 end if
+            end if
             do ia = 1, in_atoms
                 read(11,'(a)')  line(:)
                 if(read_vel) then 
@@ -1141,6 +1143,9 @@ module io
             end do
         end if
         call set_max_esize
+        !Now set the nodes and basisnum
+        max_ng_node = maxval(ng_node(1:lattice_types))
+        max_basisnum = maxval(basisnum(1:lattice_types))
         return
     end subroutine read_pycac_out