Merge pull request #21 from aselimov/ft--group-delete

Added delete option and update readme

README.md

@@ -219,6 +219,14 @@ remesh esize
 
 This command remeshes the atoms/elements within the group to the new element size `esize`. Currently only accepts an `esize` of 2 which refines it to full atomistics.
 
+**Delete**
+
+```
+delete
+```
+
+This command deletes all selected atoms and elements within the group.
+
 ### Option overwrite 
 
 ```

src/opt_group.f90

@@ -11,7 +11,7 @@ module opt_group
     integer :: group_ele_num, group_atom_num, remesh_size
     character(len=15) :: type, shape !Type indicates what element type is selected and shape is the group shape
     real(kind=dp) :: block_bd(6), disp_vec(3)
-    logical :: displace
+    logical :: displace, delete
 
     integer, allocatable :: element_index(:), atom_index(:) 
 
@@ -27,6 +27,9 @@ module opt_group
         group_ele_num = 0
         group_atom_num = 0
         remesh_size=0
+        displace=.false.
+        delete=.false.
+
         if(allocated(element_index)) deallocate(element_index)
         if(allocated(atom_index)) deallocate(atom_index)
 
@@ -38,6 +41,8 @@ module opt_group
         if(displace) call displace_group
 
         if(remesh_size > 0) call remesh_group
+
+        if(delete) call delete_group
     end subroutine group
 
     subroutine parse_group(arg_pos)
@@ -101,6 +106,9 @@ module opt_group
                 call get_command_argument(arg_pos, textholder, arglen)
                 if (arglen==0) stop "Missing remesh element size in group command"
                 read(textholder, *) remesh_size
+            case('delete')
+                arg_pos = arg_pos + 1
+                delete=.true.
             case default
                 !If it isn't an available option to opt_disl then we just exit
                 exit 
@@ -246,4 +254,17 @@ module opt_group
 
         
     end subroutine remesh_group
+
+    subroutine delete_group
+        !This subroutine deletes all atoms/elements within a group
+
+        print *, "Deleting group containing ", group_atom_num, " atoms and ", group_ele_num, " elements."
+
+        !Delete atoms
+        call delete_atoms(group_atom_num, atom_index)
+
+        !Delete elements
+        call delete_elements(group_ele_num, element_index)
+
+    end subroutine delete_group
 end module opt_group