Apply 2 suggestion(s) to 1 file(s)

source/KKRhost/write_gflle_npy.f90

@@ -956,107 +956,6 @@ contains
 
       write (p_un) mtx
 
-      close (unit=p_un)
-   End Subroutine write_int8_mtx
-
-   Subroutine write_int8_3d(filename, mtx)
-      Implicit None
-      character(len=*), intent(in)     :: filename
-      integer(1), intent(in)           :: mtx(:,:,:)
-      character(len=*), parameter      :: var_type = "<i1"
-      integer(4)                       :: header_len, s_mtx(3), i, j
-
-      s_mtx = shape(mtx)
-      header_len = len(dict_str(var_type, s_mtx))
-
-      open (unit=p_un, file=filename, form="unformatted", &
-            access="stream")
-      write (p_un) magic_num, magic_str, major, minor
-
-      write (p_un) header_len
-
-      write (p_un) dict_str(var_type, s_mtx)
-
-      write (p_un) mtx
-
-      close (unit=p_un)
-   End Subroutine write_int8_3d
-
-   Subroutine write_int8_vec(filename, vec)
-      Implicit None
-      character(len=*), intent(in)     :: filename
-      integer(1), intent(in)           :: vec(:)
-      character(len=*), parameter      :: var_type = "<i1"
-      integer(4)                       :: header_len, s_vec(1), i
-
-      s_vec = shape(vec)
-      header_len = len(dict_str(var_type, s_vec))
-
-      open (unit=p_un, file=filename, form="unformatted", &
-            access="stream")
-      write (p_un) magic_num, magic_str, major, minor
-
-      write (p_un) header_len
-
-      write (p_un) dict_str(var_type, s_vec)
-
-      write (p_un) vec
-
-      close (unit=p_un)
-   End Subroutine write_int8_vec
-
-   function dict_str(var_type, var_shape) result(str)
-      implicit none
-      character(len=*), intent(in)   :: var_type
-      integer(4), intent(in)         :: var_shape(:)
-      character(len=:), allocatable  :: str
-      integer(4)                     :: cnt
-
-      cnt = len("{'descr': '")
-      cnt = cnt + len(var_type)
-      cnt = cnt + len("', 'fortran_order': True, 'shape': (")
-      cnt = cnt + len(shape_str(var_shape))
-      cnt = cnt + len(",), }")
-      do while (mod(cnt + 10, 16) /= 0)
-         cnt = cnt + 1
-      enddo
-
-      allocate (character(cnt) :: str)
-
-      str = "{'descr': '"//var_type// &
-            "', 'fortran_order': True, 'shape': ("// &
-            shape_str(var_shape)//"), }"
-
-      do while (mod(len(str) + 11, 16) /= 0)
-         str = str//" "
-      enddo
-
-      str = str//achar(10)
-
-   end function dict_str
-
-   function shape_str(var_shape) result(fin_str)
-      implicit none
-      integer(4), intent(in)        :: var_shape(:)
-      character(len=:), allocatable :: str, small_str, fin_str
-      integer(4)                    :: i, length, start, halt
-
-      length = 14*size(var_shape)
-      allocate (character(length) :: str)
-      allocate (character(14)     :: small_str)
-      str = " "
-
-      do i = 1, size(var_shape)
-         start = (i - 1)*length + 1
-         halt = i*length + 1
-         write (small_str, "(I13,A)") var_shape(i), ","
-         str = trim(str)//adjustl(small_str)
-      enddo
-
-      fin_str = trim(str)
-   end function shape_str
-end module m_npy
-
 
 module mod_write_gflle 
 
@@ -1064,6 +963,14 @@ module mod_write_gflle
 
 contains
 
+  !-------------------------------------------------------------------------------
+  !> Summary: Write gflle file out in npy format
+  !> Author: Philipp Rüßmann
+  !> Category: writeout
+  !> Deprecated: False 
+  !> Creates one file per atom and energy, otherwise file can be very large which
+  !> might be problematic in post-processing
+  !-------------------------------------------------------------------------------
   subroutine write_gflle_to_npy(lmmaxd, ielast, nqdos, i1, gflle)
 
     use mod_datatypes, only: dp