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changed names in ezfio functions in ortho_three_e_ints

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eginer 2023-02-08 14:08:49 +01:00
parent 261ff40044
commit e3fa3b717e
4 changed files with 88 additions and 88 deletions
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56
src/ortho_three_e_ints/three_body_tensor.irp.f
View File

@ -1,29 +1,29 @@
BEGIN_PROVIDER [ double precision, three_body_ints, (mo_num, mo_num, mo_num, mo_num, mo_num, mo_num)]
BEGIN_PROVIDER [ double precision, ortho_three_e_ints, (mo_num, mo_num, mo_num, mo_num, mo_num, mo_num)]
implicit none
BEGIN_DOC
! matrix element of the -L three-body operator
!
! notice the -1 sign: in this way three_body_ints can be directly used to compute Slater rules :)
! notice the -1 sign: in this way ortho_three_e_ints can be directly used to compute Slater rules :)
END_DOC
integer :: i,j,k,l,m,n
double precision :: integral, wall1, wall0
character*(128) :: name_file
three_body_ints = 0.d0
print*,'Providing the three_body_ints ...'
ortho_three_e_ints = 0.d0
print*,'Providing the ortho_three_e_ints ...'
call wall_time(wall0)
name_file = 'six_index_tensor'
if(read_three_body_ints)then
call read_fcidump_3_tc(three_body_ints)
if(read_ortho_three_e_ints)then
call read_fcidump_3_tc(ortho_three_e_ints)
else
if(read_three_body_ints)then
print*,'Reading three_body_ints from disk ...'
call read_array_6_index_tensor(mo_num,three_body_ints,name_file)
if(read_ortho_three_e_ints)then
print*,'Reading ortho_three_e_ints from disk ...'
call read_array_6_index_tensor(mo_num,ortho_three_e_ints,name_file)
else
provide x_W_ij_erf_rk
!$OMP PARALLEL &
!$OMP DEFAULT (NONE) &
!$OMP PRIVATE (i,j,k,l,m,n,integral) &
!$OMP SHARED (mo_num,three_body_ints)
!$OMP SHARED (mo_num,ortho_three_e_ints)
!$OMP DO SCHEDULE (dynamic)
do n = 1, mo_num
do l = 1, mo_num
@ -35,31 +35,31 @@ BEGIN_PROVIDER [ double precision, three_body_ints, (mo_num, mo_num, mo_num, mo_
integral = 0.d0
call give_integrals_3_body(i,j,m,k,l,n,integral)
three_body_ints(i,j,m,k,l,n) = -1.d0 * integral
ortho_three_e_ints(i,j,m,k,l,n) = -1.d0 * integral
! permutation with k,i
three_body_ints(k,j,m,i,l,n) = -1.d0 * integral ! i,k
ortho_three_e_ints(k,j,m,i,l,n) = -1.d0 * integral ! i,k
! two permutations with k,i
three_body_ints(k,l,m,i,j,n) = -1.d0 * integral
three_body_ints(k,j,n,i,l,m) = -1.d0 * integral
ortho_three_e_ints(k,l,m,i,j,n) = -1.d0 * integral
ortho_three_e_ints(k,j,n,i,l,m) = -1.d0 * integral
! three permutations with k,i
three_body_ints(k,l,n,i,j,m) = -1.d0 * integral
ortho_three_e_ints(k,l,n,i,j,m) = -1.d0 * integral
! permutation with l,j
three_body_ints(i,l,m,k,j,n) = -1.d0 * integral ! j,l
ortho_three_e_ints(i,l,m,k,j,n) = -1.d0 * integral ! j,l
! two permutations with l,j
three_body_ints(k,l,m,i,j,n) = -1.d0 * integral
three_body_ints(i,l,n,k,j,m) = -1.d0 * integral
ortho_three_e_ints(k,l,m,i,j,n) = -1.d0 * integral
ortho_three_e_ints(i,l,n,k,j,m) = -1.d0 * integral
! two permutations with l,j
!!!! three_body_ints(k,l,n,i,j,m) = -1.d0 * integral
!!!! ortho_three_e_ints(k,l,n,i,j,m) = -1.d0 * integral
! permutation with m,n
three_body_ints(i,j,n,k,l,m) = -1.d0 * integral ! m,n
ortho_three_e_ints(i,j,n,k,l,m) = -1.d0 * integral ! m,n
! two permutations with m,n
three_body_ints(k,j,n,i,l,m) = -1.d0 * integral ! m,n
three_body_ints(i,l,n,k,j,m) = -1.d0 * integral ! m,n
ortho_three_e_ints(k,j,n,i,l,m) = -1.d0 * integral ! m,n
ortho_three_e_ints(i,l,n,k,j,m) = -1.d0 * integral ! m,n
! three permutations with k,i
!!!! three_body_ints(k,l,n,i,j,m) = -1.d0 * integral ! m,n
!!!! ortho_three_e_ints(k,l,n,i,j,m) = -1.d0 * integral ! m,n
!! endif
enddo
@ -73,11 +73,11 @@ BEGIN_PROVIDER [ double precision, three_body_ints, (mo_num, mo_num, mo_num, mo_
endif
endif
call wall_time(wall1)
print*,'wall time for three_body_ints',wall1 - wall0
if(write_three_body_ints)then
print*,'Writing three_body_ints on disk ...'
call write_array_6_index_tensor(mo_num,three_body_ints,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
print*,'wall time for ortho_three_e_ints',wall1 - wall0
if(write_ortho_three_e_ints)then
print*,'Writing ortho_three_e_ints on disk ...'
call write_array_6_index_tensor(mo_num,ortho_three_e_ints,name_file)
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER

48
src/ortho_three_e_ints/three_e_3_idx.irp.f
View File

@ -14,8 +14,8 @@ BEGIN_PROVIDER [ double precision, three_body_3_index, (mo_num, mo_num, mo_num)]
print*,'Providing the three_body_3_index ...'
name_file = 'three_body_3_index'
call wall_time(wall0)
if(read_three_body_ints)then
print*,'Reading three_body_ints from disk ...'
if(read_ortho_three_e_ints)then
print*,'Reading ortho_three_e_ints from disk ...'
call read_array_3_index_tensor(mo_num,three_body_3_index,name_file)
else
provide x_W_ij_erf_rk
@ -42,10 +42,10 @@ BEGIN_PROVIDER [ double precision, three_body_3_index, (mo_num, mo_num, mo_num)]
endif
call wall_time(wall1)
print*,'wall time for three_body_3_index',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_3_index on disk ...'
call write_array_3_index_tensor(mo_num,three_body_3_index,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
@ -66,8 +66,8 @@ BEGIN_PROVIDER [ double precision, three_body_3_index_exch_12, (mo_num, mo_num,
name_file = 'three_body_3_index_exch_12'
print*,'Providing the three_body_3_index_exch_12 ...'
call wall_time(wall0)
if(read_three_body_ints)then
print*,'Reading three_body_ints from disk ...'
if(read_ortho_three_e_ints)then
print*,'Reading ortho_three_e_ints from disk ...'
call read_array_3_index_tensor(mo_num,three_body_3_index_exch_12,name_file)
else
provide x_W_ij_erf_rk
@ -95,10 +95,10 @@ BEGIN_PROVIDER [ double precision, three_body_3_index_exch_12, (mo_num, mo_num,
endif
call wall_time(wall1)
print*,'wall time for three_body_3_index_exch_12',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_3_index_exch_12 on disk ...'
call write_array_3_index_tensor(mo_num,three_body_3_index_exch_12,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER
@ -117,8 +117,8 @@ BEGIN_PROVIDER [ double precision, three_body_3_index_exch_23, (mo_num, mo_num,
print*,'Providing the three_body_3_index_exch_23 ...'
call wall_time(wall0)
name_file = 'three_body_3_index_exch_23'
if(read_three_body_ints)then
print*,'Reading three_body_ints from disk ...'
if(read_ortho_three_e_ints)then
print*,'Reading ortho_three_e_ints from disk ...'
call read_array_3_index_tensor(mo_num,three_body_3_index_exch_23,name_file)
else
provide x_W_ij_erf_rk
@ -145,10 +145,10 @@ BEGIN_PROVIDER [ double precision, three_body_3_index_exch_23, (mo_num, mo_num,
call wall_time(wall1)
endif
print*,'wall time for three_body_3_index_exch_23',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_3_index_exch_23 on disk ...'
call write_array_3_index_tensor(mo_num,three_body_3_index_exch_23,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER
@ -168,8 +168,8 @@ BEGIN_PROVIDER [ double precision, three_body_3_index_exch_13, (mo_num, mo_num,
print*,'Providing the three_body_3_index_exch_13 ...'
call wall_time(wall0)
name_file = 'three_body_3_index_exch_13'
if(read_three_body_ints)then
print*,'Reading three_body_ints from disk ...'
if(read_ortho_three_e_ints)then
print*,'Reading ortho_three_e_ints from disk ...'
call read_array_3_index_tensor(mo_num,three_body_3_index_exch_13,name_file)
else
provide x_W_ij_erf_rk
@ -197,10 +197,10 @@ BEGIN_PROVIDER [ double precision, three_body_3_index_exch_13, (mo_num, mo_num,
call wall_time(wall1)
print*,'wall time for three_body_3_index_exch_13',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_3_index_exch_13 on disk ...'
call write_array_3_index_tensor(mo_num,three_body_3_index_exch_13,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER
@ -220,8 +220,8 @@ BEGIN_PROVIDER [ double precision, three_body_3_index_exch_231, (mo_num, mo_num,
print*,'Providing the three_body_3_index_231 ...'
call wall_time(wall0)
name_file = 'three_body_3_index_exch_231'
if(read_three_body_ints)then
print*,'Reading three_body_ints from disk ...'
if(read_ortho_three_e_ints)then
print*,'Reading ortho_three_e_ints from disk ...'
call read_array_3_index_tensor(mo_num,three_body_3_index_exch_231,name_file)
else
provide x_W_ij_erf_rk
@ -249,10 +249,10 @@ BEGIN_PROVIDER [ double precision, three_body_3_index_exch_231, (mo_num, mo_num,
call wall_time(wall1)
print*,'wall time for three_body_3_index_exch_231 ',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_3_index_exch_231 on disk ...'
call write_array_3_index_tensor(mo_num,three_body_3_index_exch_231,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER
@ -272,8 +272,8 @@ BEGIN_PROVIDER [ double precision, three_body_3_index_exch_312, (mo_num, mo_num,
print*,'Providing the three_body_3_index_312 ...'
call wall_time(wall0)
name_file = 'three_body_3_index_exch_312'
if(read_three_body_ints)then
print*,'Reading three_body_ints from disk ...'
if(read_ortho_three_e_ints)then
print*,'Reading ortho_three_e_ints from disk ...'
call read_array_3_index_tensor(mo_num,three_body_3_index_exch_312,name_file)
else
provide x_W_ij_erf_rk
@ -300,10 +300,10 @@ BEGIN_PROVIDER [ double precision, three_body_3_index_exch_312, (mo_num, mo_num,
endif
call wall_time(wall1)
print*,'wall time for three_body_3_index_312',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_3_index_exch_312 on disk ...'
call write_array_3_index_tensor(mo_num,three_body_3_index_exch_312,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER

36
src/ortho_three_e_ints/three_e_4_idx.irp.f
View File

@ -16,7 +16,7 @@ BEGIN_PROVIDER [ double precision, three_body_4_index, (mo_num, mo_num, mo_num,
call wall_time(wall0)
name_file = 'three_body_4_index'
if(read_three_body_ints)then
if(read_ortho_three_e_ints)then
print*,'Reading three_body_4_index from disk ...'
call read_array_4_index_tensor(mo_num,three_body_4_index,name_file)
else
@ -44,10 +44,10 @@ BEGIN_PROVIDER [ double precision, three_body_4_index, (mo_num, mo_num, mo_num,
endif
call wall_time(wall1)
print*,'wall time for three_body_4_index',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_4_index on disk ...'
call write_array_4_index_tensor(mo_num,three_body_4_index,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER
@ -69,7 +69,7 @@ BEGIN_PROVIDER [ double precision, three_body_4_index_exch_12, (mo_num, mo_num,
call wall_time(wall0)
name_file = 'three_body_4_index_exch_12'
if(read_three_body_ints)then
if(read_ortho_three_e_ints)then
print*,'Reading three_body_4_index_exch_12 from disk ...'
call read_array_4_index_tensor(mo_num,three_body_4_index_exch_12,name_file)
else
@ -98,10 +98,10 @@ BEGIN_PROVIDER [ double precision, three_body_4_index_exch_12, (mo_num, mo_num,
call wall_time(wall1)
print*,'wall time for three_body_4_index_exch_12',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_4_index_exch_12 on disk ...'
call write_array_4_index_tensor(mo_num,three_body_4_index_exch_12,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER
@ -123,7 +123,7 @@ BEGIN_PROVIDER [ double precision, three_body_4_index_exch_12_part, (mo_num, mo_
call wall_time(wall0)
name_file = 'three_body_4_index_exch_12_part'
if(read_three_body_ints)then
if(read_ortho_three_e_ints)then
print*,'Reading three_body_4_index_exch_12_part from disk ...'
call read_array_4_index_tensor(mo_num,three_body_4_index_exch_12_part,name_file)
else
@ -150,10 +150,10 @@ BEGIN_PROVIDER [ double precision, three_body_4_index_exch_12_part, (mo_num, mo_
call wall_time(wall1)
endif
print*,'wall time for three_body_4_index_exch_12_part',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_4_index_exch_12_part on disk ...'
call write_array_4_index_tensor(mo_num,three_body_4_index_exch_12_part,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER
@ -175,7 +175,7 @@ BEGIN_PROVIDER [ double precision, three_body_4_index_exch_12_part_bis, (mo_num,
call wall_time(wall0)
name_file = 'three_body_4_index_exch_12_part_bis'
if(read_three_body_ints)then
if(read_ortho_three_e_ints)then
print*,'Reading three_body_4_index_exch_12_part_bisfrom disk ...'
call read_array_4_index_tensor(mo_num,three_body_4_index_exch_12_part_bis,name_file)
else
@ -204,10 +204,10 @@ BEGIN_PROVIDER [ double precision, three_body_4_index_exch_12_part_bis, (mo_num,
endif
call wall_time(wall1)
print*,'wall time for three_body_4_index_exch_12_part_bis',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_4_index_exch_12_part_bis on disk ...'
call write_array_4_index_tensor(mo_num,three_body_4_index_exch_12_part_bis,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER
@ -229,7 +229,7 @@ BEGIN_PROVIDER [ double precision, three_body_4_index_exch_231, (mo_num, mo_num,
print*,'Providing the three_body_4_index_exch_231 ...'
call wall_time(wall0)
name_file = 'three_body_4_index_exch_231'
if(read_three_body_ints)then
if(read_ortho_three_e_ints)then
print*,'Reading three_body_4_index_exch_231 from disk ...'
call read_array_4_index_tensor(mo_num,three_body_4_index_exch_231,name_file)
else
@ -257,10 +257,10 @@ BEGIN_PROVIDER [ double precision, three_body_4_index_exch_231, (mo_num, mo_num,
endif
call wall_time(wall1)
print*,'wall time for three_body_4_index_exch_231',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_4_index_exch_231 on disk ...'
call write_array_4_index_tensor(mo_num,three_body_4_index_exch_231,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER
@ -281,7 +281,7 @@ BEGIN_PROVIDER [ double precision, three_body_4_index_exch_312, (mo_num, mo_num,
print*,'Providing the three_body_4_index_exch_312 ...'
call wall_time(wall0)
name_file = 'three_body_4_index_exch_312'
if(read_three_body_ints)then
if(read_ortho_three_e_ints)then
print*,'Reading three_body_4_index_exch_312 from disk ...'
call read_array_4_index_tensor(mo_num,three_body_4_index_exch_312,name_file)
else
@ -309,10 +309,10 @@ BEGIN_PROVIDER [ double precision, three_body_4_index_exch_312, (mo_num, mo_num,
endif
call wall_time(wall1)
print*,'wall time for three_body_4_index_exch_312',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_4_index_exch_312 on disk ...'
call write_array_4_index_tensor(mo_num,three_body_4_index_exch_312,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER

36
src/ortho_three_e_ints/three_e_5_idx.irp.f
View File

@ -15,7 +15,7 @@ BEGIN_PROVIDER [ double precision, three_body_5_index, (mo_num, mo_num, mo_num,
print*,'Providing the three_body_5_index ...'
name_file = 'three_body_5_index'
call wall_time(wall0)
if(read_three_body_ints)then
if(read_ortho_three_e_ints)then
print*,'Reading three_body_5_index from disk ...'
call read_array_5_index_tensor(mo_num,three_body_5_index,name_file)
else
@ -49,10 +49,10 @@ BEGIN_PROVIDER [ double precision, three_body_5_index, (mo_num, mo_num, mo_num,
endif
call wall_time(wall1)
print*,'wall time for three_body_5_index',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_5_index on disk ...'
call write_array_5_index_tensor(mo_num,three_body_5_index,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
! do n = 1, mo_num
! do l = 1, mo_num
@ -87,7 +87,7 @@ BEGIN_PROVIDER [ double precision, three_body_5_index_exch_13, (mo_num, mo_num,
name_file = 'three_body_5_index_exch_13'
print*,'Providing the three_body_5_index_exch_13 ...'
call wall_time(wall0)
if(read_three_body_ints)then
if(read_ortho_three_e_ints)then
print*,'Reading three_body_5_index_exch_13 from disk ...'
call read_array_5_index_tensor(mo_num,three_body_5_index_exch_13,name_file)
else
@ -120,10 +120,10 @@ BEGIN_PROVIDER [ double precision, three_body_5_index_exch_13, (mo_num, mo_num,
endif
call wall_time(wall1)
print*,'wall time for three_body_5_index_exch_13',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_5_index_exch_13 on disk ...'
call write_array_5_index_tensor(mo_num,three_body_5_index_exch_13,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
! do n = 1, mo_num
! do l = 1, mo_num
@ -157,7 +157,7 @@ BEGIN_PROVIDER [ double precision, three_body_5_index_exch_32, (mo_num, mo_num,
print*,'Providing the three_body_5_index_exch_32 ...'
call wall_time(wall0)
if(read_three_body_ints)then
if(read_ortho_three_e_ints)then
print*,'Reading three_body_5_index_exch_32 from disk ...'
call read_array_5_index_tensor(mo_num,three_body_5_index_exch_32,name_file)
else
@ -191,10 +191,10 @@ BEGIN_PROVIDER [ double precision, three_body_5_index_exch_32, (mo_num, mo_num,
endif
call wall_time(wall1)
print*,'wall time for three_body_5_index_exch_32',wall1 - wall0
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_5_index_exch_32 on disk ...'
call write_array_5_index_tensor(mo_num,three_body_5_index_exch_32,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
! do n = 1, mo_num
! do l = 1, mo_num
@ -228,7 +228,7 @@ BEGIN_PROVIDER [ double precision, three_body_5_index_exch_12, (mo_num, mo_num,
print*,'Providing the three_body_5_index_exch_12 ...'
call wall_time(wall0)
if(read_three_body_ints)then
if(read_ortho_three_e_ints)then
print*,'Reading three_body_5_index_exch_12 from disk ...'
call read_array_5_index_tensor(mo_num,three_body_5_index_exch_12,name_file)
else
@ -273,10 +273,10 @@ BEGIN_PROVIDER [ double precision, three_body_5_index_exch_12, (mo_num, mo_num,
! enddo
! enddo
! enddo
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_5_index_exch_12 on disk ...'
call write_array_5_index_tensor(mo_num,three_body_5_index_exch_12,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER
@ -300,7 +300,7 @@ BEGIN_PROVIDER [ double precision, three_body_5_index_312, (mo_num, mo_num, mo_n
print*,'Providing the three_body_5_index_312 ...'
call wall_time(wall0)
if(read_three_body_ints)then
if(read_ortho_three_e_ints)then
print*,'Reading three_body_5_index_312 from disk ...'
call read_array_5_index_tensor(mo_num,three_body_5_index_312,name_file)
else
@ -345,10 +345,10 @@ BEGIN_PROVIDER [ double precision, three_body_5_index_312, (mo_num, mo_num, mo_n
! enddo
! enddo
! enddo
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_5_index_312 on disk ...'
call write_array_5_index_tensor(mo_num,three_body_5_index_312,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER
@ -370,7 +370,7 @@ BEGIN_PROVIDER [ double precision, three_body_5_index_132, (mo_num, mo_num, mo_n
print*,'Providing the three_body_5_index_132 ...'
call wall_time(wall0)
if(read_three_body_ints)then
if(read_ortho_three_e_ints)then
print*,'Reading three_body_5_index_132 from disk ...'
call read_array_5_index_tensor(mo_num,three_body_5_index_132,name_file)
else
@ -415,10 +415,10 @@ BEGIN_PROVIDER [ double precision, three_body_5_index_132, (mo_num, mo_num, mo_n
! enddo
! enddo
! enddo
if(write_three_body_ints)then
if(write_ortho_three_e_ints)then
print*,'Writing three_body_5_index_132 on disk ...'
call write_array_5_index_tensor(mo_num,three_body_5_index_132,name_file)
call ezfio_set_three_body_ints_io_three_body_ints("Read")
call ezfio_set_ortho_three_e_ints_io_ortho_three_e_ints("Read")
endif
END_PROVIDER