Added efill option

README.md

@@ -45,16 +45,6 @@ Default orientation is `[100] [010] [001]`. If this keyword is present then the
 
 *Example:* `orient [-112] [110] [-11-1]` 
 
-**Basis**
-
-``` 
-basis num atom_name x y z
-```
-
-Default basis has `atom_name = name` with position (0,0,0). If used then the `atom_name x y z` must be include `num` times. 
-
-*Example:* `basis 2 Mg 0 0 0 Mg 0.5 0.288675 0.81647`
-
 **Duplicate**
 
 ```
@@ -92,6 +82,13 @@ basis basisnum bname bx by bz
 ```
 
 This function allows you to define a custom basis. `bname bx by bz` must be repeated `basisnum` times.
+
+**efill**
+```
+efill
+```
+This command will rerun the creation algorithm with multiple times starting with an esize of `esize` and decreasing it by half on every iteration in an effort to maximize the reduction of degrees of freedom in the system.
+
 ### Mode Convert
 
 ```

src/mode_create.f90

@@ -151,11 +151,11 @@ module mode_create
 
                     curr_esize=esize
                     do ei = 1, esize_nums
-                        if(i < esize_index(ei)) then 
+                        if(i <= esize_index(ei)) then 
                             call add_element(element_type, curr_esize, 1, 1, r_node_temp)
                             exit
                         end if
-                        curr_esize=curr_esize/2 + 1
+                        curr_esize=esize/(2**ei) - 1
                     end do
                 end do 
             end if
@@ -257,7 +257,6 @@ module mode_create
                 end do
 
             case('efill')
-                arg_pos=arg_pos+1
                 efill = .true.
             case default
                 !If it isn't an option then you have to exit
@@ -340,7 +339,7 @@ module mode_create
             esize_nums=0
             do while (curr_esize >= 7) 
                 esize_nums=esize_nums+1
-                curr_esize = curr_esize/2 + 1 
+                curr_esize = esize/(2**esize_nums) -1
             end do
         else
             esize_nums=1
@@ -497,7 +496,7 @@ module mode_create
                     end do
                 end do
                 esize_index(ei) = lat_ele_num
-                curr_esize=curr_esize/2 + 1
+                curr_esize=esize/(2**ei) - 1
             end do
             !Now figure out how many lattice points could not be contained in elements
             allocate(r_atom_lat(3,count(lat_points)))