read_cidata: add _sym[0-9]+ to CIDATA filename

src/casci.f90

@@ -22,7 +22,7 @@ SUBROUTINE casci
     real(8), allocatable    :: mat_real(:, :) ! For realonly
     real(8), allocatable    :: ecas(:)
     character(:), allocatable  :: filename
-    character(len=len_convert_int_to_chr) :: chr_root
+    character(len=len_convert_int_to_chr) :: chr_root, chr_totsym
     character(len=cidata_key_size) :: key
     integer :: dict_cas_idx_size, idx
     integer(kind=int64), allocatable :: keys(:), vals(:)
@@ -116,7 +116,8 @@ SUBROUTINE casci
     end if
     ! write CI matrix to the CIDATA file
     if (rank == 0) then ! Only master ranks are allowed to create files used by CASPT2 except for MDCINTNEW.
-        filename = 'CIDATA'
+        write (chr_totsym, *) totsym
+        filename = 'CIDATA_sym'//trim(adjustl(chr_totsym)) ! (e.g.) CIDATA_sym33
         call open_unformatted_file(unit=unit_cidata, file=filename, status='replace')
         key = "ninact"
         write (unit_cidata) key

src/read_cidata.f90

@@ -9,6 +9,8 @@ subroutine read_cidata
     use module_global_variables
     implicit none
     character(len=cidata_key_size) :: key
+    character(len=len_convert_int_to_chr) :: chr_totsym
+    character(:), allocatable :: filename
     integer :: unit, i, dict_cas_idx_size
     integer :: ninact_read, nact_read, nsec_read, nelec_read, nroot_read
     integer(kind=int64), allocatable :: dict_cas_idx_values(:)
@@ -26,7 +28,9 @@ subroutine read_cidata
     call add_essential_input("ci_coefficients")
     call add_essential_input("end")
 
-    call open_unformatted_file(unit, file="CIDATA", status="old", optional_position="append")
+    write (chr_totsym, *) totsym
+    filename = "CIDATA_sym"//trim(adjustl(chr_totsym))
+    call open_unformatted_file(unit, file=filename, status="old", optional_position="append")
     backspace (unit)
     read (unit) key
     if (trim(adjustl(key)) /= "end") then ! cidata must be ended with "end"