Update to match new cac inputs/output formats

src/Makefile.dep

@@ -9,7 +9,6 @@ obj/main :  \
 	obj/io.o \
 	obj/main.o \
 	obj/mode_calc.o \
-	obj/mode_check.o \
 	obj/mode_convert.o \
 	obj/mode_create.o \
 	obj/mode_merge.o \
@@ -24,6 +23,7 @@ obj/main :  \
 	obj/opt_slip_plane.o \
 	obj/parameters.o \
 	obj/sorts.o \
+	obj/str.o \
 	obj/subroutines.o
 
 obj/atoms.o :  \
@@ -37,7 +37,6 @@ obj/box.o :  \
 obj/caller.o :  \
 	obj/box.o \
 	obj/mode_calc.o \
-	obj/mode_check.o \
 	obj/mode_convert.o \
 	obj/mode_create.o \
 	obj/mode_merge.o \
@@ -65,7 +64,8 @@ obj/io.o :  \
 	obj/atoms.o \
 	obj/box.o \
 	obj/elements.o \
-	obj/parameters.o
+	obj/parameters.o \
+	obj/str.o
 
 obj/main.o :  \
 	obj/caller.o \
@@ -80,16 +80,6 @@ obj/mode_calc.o :  \
 	obj/parameters.o \
 	obj/subroutines.o
 
-obj/mode_check.o :  \
-	obj/atoms.o \
-	obj/box.o \
-	obj/elements.o \
-	obj/functions.o \
-	obj/io.o \
-	obj/neighbors.o \
-	obj/parameters.o \
-	obj/subroutines.o
-
 obj/mode_convert.o :  \
 	obj/box.o \
 	obj/elements.o \
@@ -169,6 +159,8 @@ obj/parameters.o :
 obj/sorts.o :  \
 	obj/parameters.o
 
+obj/str.o : 
+
 obj/subroutines.o :  \
 	obj/box.o \
 	obj/functions.o \

src/elements.f90

@@ -14,10 +14,11 @@ module elements
     integer, allocatable :: size_ele(:), lat_ele(:), sbox_ele(:), tag_ele(:) !Element size
     real(kind=dp), allocatable :: r_node(:,:,:,:) !Nodal position array
     !Element result data structures
-    real(kind=8), allocatable :: force_node(:,:,:,:), virial_node(:,:,:,:), energy_node(:,:,:)
+    real(kind=dp), allocatable :: force_node(:,:,:,:), virial_node(:,:,:,:), energy_node(:,:,:)
 
     integer, save :: ele_num !Number of elements
     integer, save :: node_num !Total number of nodes
+    integer, save :: node_atoms !Count of all basis atoms at nodes summed over all nodes
 
     !Data structure used to represent atoms 
     integer, allocatable ::  type_atom(:)!atom type 
@@ -120,6 +121,7 @@ module elements
         basisnum(:) = 0
         ng_node(:) = 0
         node_num = 0
+        node_atoms = 0
         ele_num = 0
         atom_num = 0
     end subroutine lattice_init
@@ -288,6 +290,7 @@ module elements
 
         ele_num = ele_num + 1
         node_num = node_num + ng_node(lat)
+        node_atoms = node_atoms + ng_node(lat)*basisnum(lat)
 
         if (tag==0) then
             newtag = ele_num !If we don't assign a tag then pass the tag as the ele_num
@@ -386,7 +389,7 @@ module elements
         end if
     end subroutine
 
-    subroutine interpolate_atoms(type, esize, lat_type, r_in, type_interp, r_interp)
+    subroutine interpolate_atoms(type, esize, lat_type, r_in, type_interp, r_interp, eng, f, v, data_interp)
         !This subroutine returns the interpolated atoms from the elements. 
 
         !Arguments
@@ -396,6 +399,9 @@ module elements
         real(kind=dp), dimension(3,max_basisnum, max_ng_node), intent(in) :: r_in !Nodal positions
         integer, dimension(max_basisnum*max_esize**3), 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)
+        real(kind=dp), dimension(10, max_basisnum*max_esize**3), optional,intent(out) :: data_interp !Interpolated atomic positions
 
         !Internal variables
         integer :: it, is, ir, ibasis, inod, ia, bnum, lat_type_temp
@@ -405,6 +411,7 @@ module elements
         !Initialize some variables
         r_interp(:,:) = 0.0_dp
         type_interp(:) = 0
+        if(present(data_interp)) data_interp = 0.0_dp
         ia = 0
 
         !Define bnum based on the input lattice type. If lat_type=0 then we are interpolating lattice points which means
@@ -437,6 +444,12 @@ module elements
                                 type_interp(ia) = basis_type(ibasis,lat_type_temp)
                                 r_interp(:,ia) = r_interp(:,ia) + a_shape(inod) * r_in(:,ibasis,inod)
 
+                                if(present(data_interp)) then 
+                                    !If data is present then interpolate data arrays as well
+                                    data_interp(1,ia) = data_interp(1,ia) + eng(ibasis, inod)*a_shape(inod)
+                                    data_interp(2:4,ia) = data_interp(2:4,ia) + f(:, ibasis, inod)*a_shape(inod)
+                                    data_interp(5:10,ia) = data_interp(5:10,ia) + v(:, ibasis, inod)*a_shape(inod)
+                                end if
                             end do
                         end do
 

src/io.f90

@@ -4,6 +4,7 @@ module io
     use parameters
     use atoms
     use box
+    use str
 
     implicit none
 
@@ -59,7 +60,7 @@ module io
                 cycle
             end if
             select case(temp_outfile(scan(temp_outfile,'.',.true.)+1:))
-            case('xyz', 'lmp', 'vtk', 'mb', 'restart')
+            case('xyz', 'lmp', 'vtk', 'mb', 'restart', 'dump')
                 outfilenum=outfilenum+1
                 outfiles(outfilenum) =  temp_outfile
                 exit
@@ -104,6 +105,8 @@ module io
                 call write_pycac(outfiles(i))
             case('cac')
                 call write_lmpcac(outfiles(i))
+            case('dump')
+                call write_ldump(outfiles(i))
             case default
                 print *, "The extension ", trim(adjustl(outfiles(i)(scan(outfiles(i),'.',.true.)+1:))), &
                          " is not accepted for writing. Please select from: xyz, lmp, vtk, mb, restart, cac and try again"
@@ -124,7 +127,7 @@ module io
         open(unit=11, file=trim(adjustl(file)), action='write', status='replace',position='rewind')
 
         !Write total number of atoms + elements
-        write(11, '(i16)') node_num+atom_num
+        write(11, '(i16)') node_atoms+atom_num
          
         !Write comment line
         write(11, '(a)') "#Node + atom file created using cacmb"
@@ -140,8 +143,8 @@ module io
             end do 
         end do 
 
-        if(outn /= node_num) then 
+        if(outn /= node_atoms) then 
-            print *, "outn", outn, " doesn't equal node_num ", node_num
+            print *, "outn", outn, " doesn't equal node_atoms ", node_atoms
         end if
 
         !Write atom positions
@@ -150,8 +153,8 @@ module io
             outn = outn + 1
         end do
 
-        if((outn-node_num) /= atom_num) then 
+        if((outn-node_atoms) /= atom_num) then 
-            print *, "outn", (outn-node_num), " doesn't equal atom_num ", atom_num
+            print *, "outn", (outn-node_atoms), " doesn't equal atom_num ", atom_num
         end if
 
         !Finish writing 
@@ -219,6 +222,87 @@ module io
         end do
     end subroutine write_lmp
 
+    subroutine write_ldump(file)
+        !This subroutine will only work if element data is defined
+        character(len = *), intent(in) :: file
+        integer :: write_num, i, iatom
+        logical :: write_dat
+        integer :: type_interp(max_basisnum*max_esize**3), interp_num
+        real(kind=dp) :: r_interp(3, max_basisnum*max_esize**3), data_interp(10, max_basisnum*max_esize**3)
+
+
+
+1 format('ITEM: TIMESTEP'/i16)
+2 format('ITEM: NUMBER OF ATOMS' /i16)
+3  format('ITEM: BOX BOUNDS ', 2a1, ' ', 2a1, ' ', 2a1 / &
+                               2f23.15 / 2f23.15 / 2f23.15)
+4  format('ITEM: ATOMS id type x y z energy fx fy fz s11 s22 s33 s23 s13 s12')
+5  format('ITEM: ATOMS id type x y z')
+
+        open(unit=11, file=trim(adjustl(file)), action='write', status='replace',position='rewind')
+        
+        !Write header information 
+        write(11,1) timestep
+
+        !Calculate total atom number
+        write_num = atom_num
+        do i = 1,ele_num
+            if(type_ele(i) == 'fcc') write_num = write_num + size_ele(i)**3
+            if(type_ele(i) == 'bcc') write_num = write_num + size_ele(i)**3
+        end do
+        !Write total number of atoms
+        write(11,2) write_num
+        !Write box information
+        write(11,3) box_bc(1:1), box_bc(1:1), box_bc(2:2), box_bc(2:2), box_bc(3:3), box_bc(3:3), box_bd(:)
+
+        !Now pick if we are interpolating data or not
+        if(allocated(force_node).or.allocated(force_atom)) then 
+            write(11, 4)
+            write_dat = .true.
+        else 
+            write(11, 5)
+            write_dat = .false.
+        end if
+        
+        if (write_dat) then 
+            do i = 1, atom_num
+                write(11, '(2i16, 13f23.15)') i, type_atom(i), r_atom(:,i), energy_atom(i), force_atom(:,i), virial_atom(:,i)
+            end do
+        else
+            do i = 1, atom_num
+                write(11, '(2i16, 3f23.15)') i, type_atom(i), r_atom(:,i)
+            end do
+        end if
+
+        !Write refined element atomic positions
+        interp_num = 0
+        do i = 1, ele_num
+            if(write_dat) then 
+                call interpolate_atoms(type_ele(i), size_ele(i), lat_ele(i), r_node(:,:,:,i), type_interp, r_interp, &
+                                       energy_node(:,:,i), force_node(:,:,:,i), virial_node(:,:,:,i),  data_interp)
+            else
+                call interpolate_atoms(type_ele(i), size_ele(i), lat_ele(i), r_node(:,:,:,i), type_interp, r_interp)
+            end if
+            select case(trim(adjustl(type_ele(i))))
+            case('fcc','bcc')
+                if(write_dat) then 
+                    do iatom = 1, basisnum(lat_ele(i))*size_ele(i)**3
+                        interp_num = interp_num+1
+                        call apply_periodic(r_interp(:,iatom))
+                        write(11, '(2i16, 13f23.15)') atom_num+interp_num, type_interp(iatom), r_interp(:,iatom), &
+                                                      data_interp(:,iatom)
+                    end do
+                else
+                    do iatom = 1, basisnum(lat_ele(i))*size_ele(i)**3
+                        interp_num = interp_num+1
+                        call apply_periodic(r_interp(:,iatom))
+                        write(11, '(2i16, 3f23.15)') atom_num+interp_num, type_interp(iatom), r_interp(:,iatom)
+                    end do
+                end if
+            end select
+        end do
+    end subroutine write_ldump
+
     subroutine write_lmpcac(file)
         !This subroutine writes out a .lmp style dump file
         character(len=100), intent(in) :: file
@@ -392,54 +476,30 @@ module io
         character(len=100), intent(in) :: file
         integer :: interp_max, i, j, inod, ibasis, ip, unique_index(50), unique_size(50), unique_type(50), unique_num, &
                    etype
-        real(kind=dp) :: box_vec(3)
+        real(kind=dp) :: box_vec(3), masses(10)
 
 1  format('time' / i16, f23.15)
 2  format('number of elements' / i16)
 3  format('number of nodes' / i16)
-4  format('element types' / i16)
 5  format('number of atoms' / i16)
-6  format('number of grains' / i16)
 7  format('boundary ' / 3a1)
 8  format('box bound' / 6f23.15)
 9  format('box length' / 3f23.15)
 10 format('box matrix')
 11 format(3f23.15)
 12 format('coarse-grained domain')
-13 format('ie ele_type grain_ele lat_type_ele'/ 'ip ibasis x y z')
+13 format('ie basis_num ng_node esize'/ 'ip ibasis type x y z')
-14 format('atomistic domain' / 'ia grain_atom type_atom x y z')
+14 format('atomistic domain' / 'ia type_atom x y z')
-15 format('maximum lattice periodicity length' / 3f23.15)
+19 format('max nodes per element and basis per nodes' / 2i16)
-16 format('Number of lattice types and atom types '/ 2i16)
-17 format('lattice type IDs')
-18 format('lattice types for grains')
-19 format('max nodes per element' / i16)
 20 format('max interpo per element' / i16)
 21 format('atom types to elements')
 
         open(unit=11, file=trim(adjustl(file)), action='write', status='replace',position='rewind')
 
+        !Below writes the header information for the restart file
         write(11,1) timestep, total_time
         write(11,2) ele_num
 
-        !Below writes the header information for the restart file
-
-
-            !First figure out all of the unique element types
-            unique_num = 0
-            unique_index(:) = 0
-            eleloop:do i = 1, ele_num
-                do j =1 , unique_num
-                    if ( ( size_ele(i) == size_ele( unique_index(j) ) ).and. &
-                        ( lat_ele(i) == lat_ele(unique_index(j)) ) ) then
-                        cycle eleloop
-                    end if
-                end do
-                unique_num = unique_num + 1
-                unique_index(unique_num) = i
-                unique_size(unique_num) = size_ele(i)
-                unique_type(unique_num) = lat_ele(i)
-            end do eleloop
-
         !Calculate the max number of atoms per element
         select case(max_ng_node)
         case(8)
@@ -447,31 +507,19 @@ module io
         case default
             interp_max = 0
         end select
+
         write(11,20) interp_max
+        !Write 
         write(11,3) node_num
-        write(11,19) max_ng_node
+        write(11,19) max_ng_node, max_basisnum
-        write(11,4) unique_num
         write(11,5) atom_num
-        write(11,6) 1 !Grain_num is ignored 
-        write(11,16) lattice_types, atom_types
-        write(11,21)
         do i = 1, atom_types
-            write(11,*) i, type_to_name(i)
+            call atommass(type_to_name(i),masses(i))
         end do
+        write(11,*) "masses: " 
+        write(11, *) (masses(i), i = 1, atom_types)
         write(11,7) box_bc(1:1), box_bc(2:2), box_bc(3:3)
-        write(11,18)
-        write(11,'(2i16)') 1,1 !This is another throwaway line that is meaningless
-        write(11,17)
-        !This may have to be updated in the future but currently the only 8 node element is fcc
-        do i = 1, lattice_types
-            select case(ng_node(i))
-            case(8)
-                write(11, *) i, 'fcc'
-            end select
-        end do
-        write(11,15) 1.0_dp, 1.0_dp, 1.0_dp !Another throwaway line that isn't needed
         write(11,8) box_bd
-        write(11,9) box_bd(2)-box_bd(1), box_bd(4) - box_bd(3), box_bd(6)-box_bd(5)
         write(11,10)
         !Current boxes are limited to being rectangular 
         do i = 1,3 
@@ -479,35 +527,18 @@ module io
             box_vec(i) = box_bd(2*i) - box_bd(2*i-1)
             write(11,11) box_vec
         end do
-        !We write this as box_mat ori and box_mat current
-        do i = 1,3 
-            box_vec(:) = 0.0_dp
-            box_vec(i) = box_bd(2*i) - box_bd(2*i-1)
-            write(11,11) box_vec
-        end do
 
         !write the element information
         if(ele_num > 0) then
             write(11,12)
-           
-            do i = 1, unique_num
-                write(11,'(3i16)') i, size_ele(unique_index(i))-1, basis_type(1,lat_ele(unique_index(i)))
-            end do
             ip = 0
             write(11,13)
             do i = 1, ele_num
-                !Figure out the ele type
+                write(11, '(4i16)') i, basisnum(lat_ele(i)), 2, (size_ele(i)-1)
-                do j = 1, unique_num
-                    if ( (unique_size(j) == size_ele(i)).and.(unique_type(j) == lat_ele(i))) then
-                        etype = j
-                        exit
-                    endif
-                end do
-                write(11, '(4i16)') i, etype, 1, basis_type(1,lat_ele(i))
                 do inod = 1, ng_node(lat_ele(i))
                     do ibasis = 1, basisnum(lat_ele(i))
                         ip = ip + 1
-                        write(11, '(2i16, 3f23.15)') ip, ibasis, r_node(:, ibasis, inod, i)
+                        write(11, '(3i16, 3f23.15)') ip, ibasis, basis_type(ibasis, lat_ele(i)), r_node(:, ibasis, inod, i)
                     end do
                 end do
             end do 
@@ -517,7 +548,7 @@ module io
         if(atom_num /= 0) then 
             write(11,14)
             do i = 1, atom_num
-                write(11, '(3i16, 3f23.15)') i, 1, type_atom(i), r_atom(:,i)
+                write(11, '(2i16, 3f23.15)') i, type_atom(i), r_atom(:,i)
             end do
         end if
 
@@ -803,7 +834,7 @@ module io
         integer :: i, inod, ibasis, j, k, l, in_eles, in_atoms, ele_types, in_lat_num, in_atom_types, &
                    atom_type_map(100), etype_map(100), etype, lat_type, new_lattice_map(100), &
                    atom_type, stat 
-        real(kind=dp) :: newdisplace(3), r_in(3,1,8), r_in_atom(3)
+        real(kind=dp) :: newdisplace(3), r_in(3,1,8), r_in_atom(3), atomic_masses(10)
         character(len=100) :: textholder, in_lattype_map(10) 
         character(len=2) :: atomic_element
         !First open the file
@@ -817,31 +848,25 @@ module io
         read(11,*) textholder
         read(11,*) in_eles 
 
-        !Discard info and read ng_max_node
+        !Discard info and read ng_max_node and max_basisnum
-        do i = 1, 5 
+        do i = 1, 5
             read(11,*) textholder
         end do 
-        read(11,*) max_ng_node
+        read(11,*) max_ng_node, max_basisnum
-
-        !Read element types (only needed inside this subroutine)
-        read(11,*) textholder
-        read(11,*) ele_types
 
         !Read in atom num
         read(11,*) textholder
         read(11,*) in_atoms
 
-        !read in lattice_types and atom types
+        !read in atom masses
-        do i = 1,3 
+        read(11, *) textholder
-            read(11,*) textholder
+        read(11, '(a)') textholder
-        end do
+        j = tok_count(textholder)
-        read(11,*) in_lat_num, in_atom_types
+        read(textholder, *) (atomic_masses(i), i=1, j)
-
 
-        !Read define atom_types by name
+        !Read define atom_types by mass
-        read(11,*) textholder
         do i = 1, in_atom_types
-            read(11,*) j, atomic_element
+            call atommassspecies(atomic_masses(i), atomic_element)
             call add_atom_type(atomic_element, atom_type_map(i))
         end do 
 
@@ -849,22 +874,6 @@ module io
         read(11,*) textholder
         read(11,*) box_bc
 
-        !Disregard useless info
-        do i = 1, 3
-            read(11,*) textholder
-        end do 
-
-        !Read in lat_type map
-        do i = 1, in_lat_num
-            read(11,*) j, in_lattype_map(i)
-            ng_node(lattice_types+i) = 8 !Only cubic elements are currently supported in pyCAC
-        end do 
-
-        !Disregard useless info
-        do i =1 , 3 
-            read(11,*) textholder
-        end do 
-
         !Read box boundaries and displace them if necessary 
         read(11,*) temp_box_bd(:)
         do i = 1, 3
@@ -892,56 +901,13 @@ module io
         sub_box_bd(:, sub_box_num+1) = temp_box_bd
 
         !Read in more useless info
-        do i = 1, 10
+        do i = 1, 9
             read(11,*) textholder
         end do  
 
-        !Now read the ele_type to size and lat map
-        do i = 1, ele_types
-            read(11,*) j, etype_map(i)
-            etype_map(i) = etype_map(i) + 1
-        end do 
-
-
-        !Now set up the lattice types. In this code it assumes that lattice_type 1 maps to 
-        !atom type 1 because it only allows 1 atom per basis in pyCAC at the moment.
-        do i = 1, in_lat_num
-            basisnum(lattice_types+i) = 1
-            basis_type(1,lattice_types+i) = atom_type_map(i)
-        end do 
-
-        !Figure out the lattice type maps in case we have repeated lattice_types
-        k = lattice_types + 1
-        new_lattice_map(:) = 0
-        new_loop:do i = 1, in_lat_num
-            old_loop:do j = 1, lattice_types
-                !First check all the lattice level variables
-                if ((basisnum(lattice_types+i) == basisnum(j)).and. &
-                    (ng_node(lattice_types+i) == ng_node(j))) then 
-                    !Now check the basis  level variables
-                    do ibasis =1, basisnum(i)
-                        if(basis_type(ibasis,lattice_types+i) /= basis_type(ibasis,j)) then 
-                            cycle old_loop
-                        end if
-                    end do
-                    new_lattice_map(i) = j
-                    cycle new_loop
-                end if
-            end do old_loop
-            new_lattice_map(i) = k 
-            k = k+1
-        end do new_loop
-
-        !Read more useless data
-        read(11,*) textholder
-
-        !set max values and allocate variables 
-        max_basisnum = maxval(basisnum)
-        max_ng_node = maxval(ng_node)
-        call grow_ele_arrays(in_eles, in_atoms)
-
         !Now start reading the elements 
         if(in_eles > 0) then
+            read(11,*) textholder
             read(11,*) textholder
             do i = 1, in_eles 
                 read(11,*) j, etype, k, lat_type 
@@ -992,9 +958,9 @@ module io
 
         !Internal Variables
         integer :: i, in_eles, in_atoms, inbtypes(10), lat_type, ia, ie, inod, &
-            id, type_node, ilat, esize, tag, type
+            id, type_node, ilat, esize, tag, type, bnum, n, ibasis, ip
         real(kind=dp) :: newdisplace(3), ra(3), in_lapa, ea, fa(3), va(6), &
-                         ee(1,8), fe(3,1,8), ve(3,1,8), re(3,1,8)
+                         ee(10,8), fe(3,10,8), ve(6,10,8), re(3,10,8)
         character(len=100) :: textholder, fcc
         character(len=1000) :: line
 
@@ -1002,7 +968,7 @@ module io
         open(unit=11, file=trim(adjustl(file)), action='read',position='rewind') 
 
         !Now initialize some important variables if they aren't defined
-        if (max_basisnum==0) max_basisnum = 1
+        if (max_basisnum==0) max_basisnum = 10
         if (max_ng_node==0) max_ng_node=8
         fcc="fcc"
 
@@ -1010,6 +976,9 @@ module io
         read(11, *) textholder
         read(11, *) textholder
 
+        !Read the timestep
+        read(11, *) textholder, timestep
+
         !Read atom number and element number and grow element arrays by needed amount
         read(11,*) textholder, in_atoms, textholder, in_eles
         call grow_ele_arrays(in_eles, in_atoms)
@@ -1055,30 +1024,28 @@ module io
         end if
 
         if(in_eles > 0) then 
-            !Add the lattice_types based on the atom types
-            inbtypes=0
-            do i = 1, maxval(type_atom)
-                inbtypes(1) = i 
-                call lattice_map(1, inbtypes,  8 , 1.0_dp, ilat) !Please check documentation on pycac.out formats
-            end do 
             !Read element and node headers
             read(11,*) textholder
             read(11,*) textholder
 
             !read element information, currently only 8 node elements with 1 basis
             do ie =1, in_eles
-                    read(11,*)  tag, lat_type, textholder, textholder, esize
+                read(11,*)  tag, n, bnum, esize
-                do inod =1, 8
+                inbtypes(:) = 0
-                    read(11,*)  textholder, textholder, textholder, re(:,1,inod), ee(1,inod), fe(:,1,inod), ve(:,1,inod)
+                do inod =1, n*bnum
+                    read(11,*)  ip, ibasis, inbtypes(ibasis), re(:,ibasis,ip), ee(ibasis,ip), fe(:,ibasis,ip), ve(:,ibasis,ip)
                 end do
+                call lattice_map(bnum, inbtypes, n, 1.0_dp, lat_type)
                 call add_element(tag, fcc, esize+1, lat_type, sub_box_num, re)
                 call add_element_data(ele_num, ee, fe, ve)
             end do
         end if
         call set_max_esize
         return
-  end subroutine
+    end subroutine
+
 
+    
     subroutine read_lmpcac(file, displace, temp_box_bd)
         !This subroutine is used to read .cac files which are used with the lammpsCAC format
         character(len=100), intent(in) :: file

src/str.f90

@@ -0,0 +1,33 @@
+module str
+
+    !this module has some string manipulation commands 
+    public
+    contains
+
+    pure function tok_count(text)
+        !counts number of tokens in a string
+        character(len =  *), intent(in) ::  text
+        integer :: tok_count
+        integer :: i, j
+        logical :: in_tok
+
+        j = len(trim(adjustl(text)))
+        in_tok = .false.
+        tok_count = 0
+        do i = 1, j
+            !This checks if it is a white space character which is the delimiter
+            if(trim(adjustl(text(i:i))) == ' ') then 
+                !If previously we were in token and the current character is the delimiter 
+                !Then we are no longer in the token
+                if(in_tok) in_tok = .false.
+
+            !If the character isn't a white space character and we previously weren't in the token then set in_tok 
+            !to true and increment token count
+            else if(.not.in_tok) then 
+                in_tok = .true.
+                tok_count = tok_count + 1
+            end if
+        end do
+        return
+    end function tok_count
+end module str