Length Gauge SBE

samples/exercise_x1_bulkSi_bloch_gs_rt/Si_sbe_rt.inp

@@ -16,7 +16,7 @@
 !########################################################################################!
 
 &calculation
-    theory = 'sbe'
+    theory = 'vg_sbe'
 /
 
 &control

samples/exercise_x2_bulkSi_bloch_gs_ms/Si_sbe_ms_1d_film.inp

@@ -16,7 +16,7 @@
 !########################################################################################!
 
 &calculation
-    theory = 'maxwell_sbe'
+    theory = 'maxwell_vg_sbe'
 /
 
 &control

samples/exercise_x2_bulkSi_bloch_gs_ms/Si_sbe_ms_2d_cylinder.inp

@@ -16,7 +16,7 @@
 !########################################################################################!
 
 &calculation
-    theory = 'maxwell_sbe'
+    theory = 'maxwell_vg_sbe'
 /
 
 &control

src/io/inputoutput.f90

@@ -587,7 +587,9 @@ subroutine read_input_common
       & nelec_sbe, &
       & al_sbe, &
       & al_vec1_sbe,al_vec2_sbe,al_vec3_sbe, &
-      & norder_correction
+      & norder_correction, &
+      & t_2, &
+      & am_s
 
     namelist/dc/ &
       & num_fragment, &
@@ -1010,6 +1012,8 @@ subroutine read_input_common
     al_vec2_sbe(:,:) = 0.d0
     al_vec3_sbe(:,:) = 0.d0
     norder_correction = 0
+    t_2 = -1.d0
+    am_s = 4
 !! == default for &dc
     num_fragment = 0
     num_rgrid_buffer = 0
@@ -1634,6 +1638,9 @@ subroutine read_input_common
     al_vec2_sbe = al_vec2_sbe * ulength_to_au
     al_vec3_sbe = al_vec3_sbe * ulength_to_au
     call comm_bcast(norder_correction,nproc_group_global)
+    call comm_bcast(t_2              ,nproc_group_global)
+    t_2 = t_2 * utime_to_au
+    call comm_bcast(am_s             ,nproc_group_global)
 !! == bcast for dc
     call comm_bcast(num_fragment ,nproc_group_global)
     call comm_bcast(num_rgrid_buffer, nproc_group_global)
@@ -2592,6 +2599,8 @@ subroutine dump_input_common
         write(fh_variables_log, '("#",4X,A,I3,A,"=",3ES12.5)') 'al_vec3_sbe(1:3',i,')', al_vec3_sbe(1:3,i)
       end do
       write(fh_variables_log, '("#",4X,A,"=",I6)') 'norder_correction', norder_correction
+      write(fh_variables_log, '("#",4X,A,"=",ES12.5)') 't_2', t_2
+      write(fh_variables_log, '("#",4X,A,"=",I6)') 'am_s', am_s
 
       if(inml_dc >0)ierr_nml = ierr_nml +1
       write(fh_variables_log, '("#namelist: ",A,", status=",I3)') 'dc', inml_dc

src/io/perflog.f90

@@ -227,7 +227,7 @@ subroutine write_performance(fd,mode)
       call set_sub(23, LOG_RT_ANALYSIS          , 'analysis calc.')
       call set_sub(24, LOG_RT_MISC              , 'misc.')
       call write_loadbalance(fd, 24, tsrc, headers, mode)
-    case('sbe', 'maxwell_sbe')
+    case('vg_sbe', 'lg_sbe', 'maxwell_vg_sbe', 'maxwell_lg_sbe')
       ! nothing ...
     case default
       stop 'invalid theory @ perflog'

src/io/salmon_global.f90

@@ -434,6 +434,8 @@ module salmon_global
   real(8)        :: al_sbe(3,200)
   real(8)        :: al_vec1_sbe(3,200),al_vec2_sbe(3,200),al_vec3_sbe(3,200)
   integer        :: norder_correction
+  real(8)        :: t_2
+  integer        :: am_s
 
   !! &dc
   integer        :: num_fragment(3)

src/main.f90

@@ -36,7 +36,8 @@ program main
   case('single_scale_maxwell_tddft'  ); call main_tddft
   case('multi_scale_maxwell_tddft'   ); call main_ms
   case('maxwell')                     ; call main_maxwell
-  case('sbe', 'maxwell_sbe')          ; call main_ssbe(nproc_group_global)
+  case('vg_sbe', 'lg_sbe', 'maxwell_vg_sbe', 'maxwell_lg_sbe')
+                                        call main_ssbe(nproc_group_global)
  !case('maxwell_sbe')                 ; call main_maxwell_sbe
  !case('ttm')                         ; call main_ttm
  !case('maxwell_ttm')                 ; call main_maxwell_ttm

src/ssbe/CMakeLists.txt

@@ -3,6 +3,7 @@ set(SOURCES
     datafile_ssbe.f90
     input_checker_sbe.f90
     gs_info_ssbe.f90
+    common_ssbe.f90
     bloch_solver_ssbe.f90
     realtime_ssbe.f90
     shaper_ssbe.f90