From 4c75fac13ce1cfe0038e36ba17f830cf4661fe6c Mon Sep 17 00:00:00 2001
From: Alex Selimov <alsel@tuta.io>
Date: Sun, 13 Sep 2020 15:47:55 -0400
Subject: [PATCH] Working change group type command

---
 src/opt_group.f90 | 35 ++++++++++++++++++++++++++++++++---
 1 file changed, 32 insertions(+), 3 deletions(-)

diff --git a/src/opt_group.f90 b/src/opt_group.f90
index eea9424..03dfd68 100644
--- a/src/opt_group.f90
+++ b/src/opt_group.f90
@@ -28,6 +28,7 @@ module opt_group
         group_atom_num = 0
         remesh_size=0
         random_num=0
+        group_type=0
         displace=.false.
         delete=.false.
         max_remesh=.false.
@@ -61,6 +62,11 @@ module opt_group
             call remesh_group
         end if
 
+        if(group_type > 0) then 
+            call get_group
+            call change_group_type
+        end if
+
     end subroutine group
 
     subroutine parse_group(arg_pos)
@@ -371,6 +377,11 @@ module opt_group
                 read(textholder, *) random_num
             case('flip')
                 flip=.true.
+            case('type')
+                arg_pos = arg_pos + 1
+                call get_command_argument(arg_pos, textholder, arglen)
+                if (arglen==0) stop "Missing atom type for group"
+                call add_atom_type(textholder, group_type)
             case default
                 !If it isn't an available option to opt_disl then we just exit
                 exit 
@@ -851,11 +862,29 @@ module opt_group
 
     end subroutine delete_group
 
-    subroutine change_group
+    subroutine change_group_type
         !This subroutine changes all atoms and nodes at atoms within a group to a specific type
+        integer :: i, j, ltype,ibasis, inod, basis_type(10)
+        
+        print *, "Changing ", group_atom_num, " atoms and ", group_ele_num, " elements to atom type ", group_type
+
+        !Change all atom group types
+        do i = 1, group_atom_num
+            j = atom_index(i)
+            type_atom(j) = group_type
+        end do
+
+        !Map to a new lattice type for all element
+        do i =1, group_ele_num
+            j = element_index(i)
+            ltype = lat_ele(j)
+            do ibasis = 1, basisnum(ltype)
+               basis_type(ibasis) = group_type 
+            end do
+            call lattice_map(basisnum(ltype), basis_type, ng_node(ltype), lapa(ltype), lat_ele(j))
+        end do
 
-        print *, "Changing ", group_atom_num " atoms and ", group_ele_num, " elements to atom type ", group_type
-    end subroutine change_group
+    end subroutine change_group_type
     
     function in_group(r)
         !This subroutine determines if a point is within the group boundaries