LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 11:03:29 +01:00
Code Releases Activity

Removed debug prints

Browse Source
This commit is contained in:
Anthony Scemama 2021-12-10 18:43:05 +01:00
parent f2e3a12c05
commit b2cb796d90
2 changed files with 6 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
ocaml/qp_create_ezfio.ml
View File

@ -585,9 +585,7 @@ let run ?o b au c d m p cart xyz_file =
let shell_prim_num =
list_map List.length lc
in
Printf.printf "Coucou\n%!";
let shell_idx =
Printf.printf "Coucou\n%!";
let rec make_list n accu = function
| 0 -> accu
| i -> make_list n (n :: accu) (i-1)

8
src/two_rdm_routines/davidson_like_state_av_2rdm.irp.f
View File

@ -529,10 +529,14 @@ subroutine orb_range_2_rdm_state_av_openmp_work_$N_int(big_array,dim1,norb,list_
c_average += c_1(l) * c_1(l) * state_weights(l)
enddo
call update_keys_values(keys,values,nkeys,dim1,big_array,lock_2rdm)
if (nkeys > 0) then
call update_keys_values(keys,values,nkeys,dim1,big_array,lock_2rdm)
endif
nkeys = 0
call orb_range_diag_to_all_2_rdm_dm_buffer(tmp_det,c_average,orb_bitmask,list_orb_reverse,ispin,sze_buff,nkeys,keys,values)
call update_keys_values(keys,values,nkeys,dim1,big_array,lock_2rdm)
if (nkeys > 0) then
call update_keys_values(keys,values,nkeys,dim1,big_array,lock_2rdm)
endif
nkeys = 0
end do