diff --git a/src/ortho_three_e_ints/three_body_tensor.irp.f b/src/ortho_three_e_ints/three_body_tensor.irp.f index 2b65a925..1dafec29 100644 --- a/src/ortho_three_e_ints/three_body_tensor.irp.f +++ b/src/ortho_three_e_ints/three_body_tensor.irp.f @@ -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 diff --git a/src/ortho_three_e_ints/three_e_3_idx.irp.f b/src/ortho_three_e_ints/three_e_3_idx.irp.f index 13210f00..32d20dcc 100644 --- a/src/ortho_three_e_ints/three_e_3_idx.irp.f +++ b/src/ortho_three_e_ints/three_e_3_idx.irp.f @@ -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 diff --git a/src/ortho_three_e_ints/three_e_4_idx.irp.f b/src/ortho_three_e_ints/three_e_4_idx.irp.f index 0c6743f0..1c2749e8 100644 --- a/src/ortho_three_e_ints/three_e_4_idx.irp.f +++ b/src/ortho_three_e_ints/three_e_4_idx.irp.f @@ -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 diff --git a/src/ortho_three_e_ints/three_e_5_idx.irp.f b/src/ortho_three_e_ints/three_e_5_idx.irp.f index 914601ff..c4fbd121 100644 --- a/src/ortho_three_e_ints/three_e_5_idx.irp.f +++ b/src/ortho_three_e_ints/three_e_5_idx.irp.f @@ -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