Commit 0426c619 authored by Marie bernadette Lepetit's avatar Marie bernadette Lepetit
Browse files

dens relaxse compile mais pas dens. pb visibilite modules

parent 4cbadff1
Pipeline #10324 failed with stage
in 6 minutes
......@@ -94,5 +94,8 @@ set(RELAXSE_gen_SOURCES
)
set(RELAXSE_SOURCES_prop
src/generator/dev/dens.F90
)
include(RelaxSE_prop)
......@@ -4,4 +4,5 @@ set(RELAXSE_SOURCES_prop
src/def_files_prop.F90
src/init_prop.F90
src/info_prop.F90
src/generator/dev/dens.F90
)
......@@ -143,3 +143,50 @@ subroutine init_prop(g_info, prog_info, o_info, v_info, det_info, int_info, sym_
End Subroutine init_prop
!$============================================================
!> @brief Read int_info types in binary file
!> @author MBL
!> @date juin 2021
!> @param
!> @param
!$============================================================
subroutine lire_intinfo(iunit,int_info)
use info
Implicit none
type(int_infotype), intent(out) :: int_info
integer, intent(in) :: iunit
read(iunit) int_info%n_1int, &
int_info%n_oooo , &
int_info%n_aaaa , &
int_info%n_aaao , &
int_info%n_aaoo , &
int_info%n_aoao , &
int_info%n_aooo , &
int_info%n_vooo , &
int_info%n_vaoo , &
int_info%n_voao , &
int_info%n_vaao , &
int_info%n_voaa , &
int_info%n_vaaa , &
int_info%n_vvoo , &
int_info%n_vovo , &
int_info%n_vvao , &
int_info%n_vavo , &
int_info%n_vvaa , &
int_info%n_vava , &
int_info%n_vvvo , &
int_info%n_vvva , &
int_info%n_vvvv , &
int_info%n_gint , &
int_info%n_2int , &
int_info%nintkind , &
int_info%CASS_nintkind
read(iunit) int_info%CASS_intkind(1:int_info%CASS_nintkind)
end subroutine lire_intinfo
......@@ -124,7 +124,7 @@ Program proprietes
read(f_info) o_info
read(f_info) v_info
read(f_info) det_info
read(f_info) int_info
call lire_intinfo(f_info, int_info)
read(f_info) nblock
allocate(shtblkdet(nblock), nblkdet(nblock), deter_index(nblock))
shtblkdet(:) = 0
......@@ -262,7 +262,9 @@ Program proprietes
write(f_output,*)
write(f_output,*) " >>> One particule density matrix"
write(f_output,*) " Not yet implemented"
call dens(ndet,nvec,nblock,psi,det,d,rspin,o_info,int_info,prog_info,rho_tot,rho_spin)
call dens(ndet,nvec,nblock, psi,det, d,rspin, &
g_info,o_info,int_info,prog_info,&
rho_tot,rho_spin)
end select
end do
......
......@@ -182,12 +182,55 @@ contains
write(iunit) o_info
write(iunit) v_info
write(iunit) det_info
write(iunit) int_info
call wrt_intinfo(iunit,int_info)
write(iunit) nblock
write(iunit) shtblkdet(1:nblock), nblkdet(1:nblock), deter_index(1:nblock)
write(iunit) sym_info
end subroutine wrt_info
!$============================================================
!> @brief Write int_info types in binary file
!> @author MBL
!> @date juin 2021
!> @param
!> @param
!$============================================================
subroutine wrt_intinfo(iunit,int_info)
Implicit none
type(int_infotype), intent(in) :: int_info
integer, intent(in) :: iunit
write(iunit) int_info%n_1int, &
int_info%n_oooo , &
int_info%n_aaaa , &
int_info%n_aaao , &
int_info%n_aaoo , &
int_info%n_aoao , &
int_info%n_aooo , &
int_info%n_vooo , &
int_info%n_vaoo , &
int_info%n_voao , &
int_info%n_vaao , &
int_info%n_voaa , &
int_info%n_vaaa , &
int_info%n_vvoo , &
int_info%n_vovo , &
int_info%n_vvao , &
int_info%n_vavo , &
int_info%n_vvaa , &
int_info%n_vava , &
int_info%n_vvvo , &
int_info%n_vvva , &
int_info%n_vvvv , &
int_info%n_gint , &
int_info%n_2int , &
int_info%nintkind , &
int_info%CASS_nintkind
write(iunit) int_info%CASS_intkind(1:int_info%CASS_nintkind)
end subroutine wrt_intinfo
!$============================================================
!> @brief Write a determinant using the global variables
!> @author
......
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