TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2025-04-19 07:00:10 +02:00
Code Issues Projects Releases Wiki Activity

Removed debug print. #41

Browse Source
This commit is contained in:
v1j4y 2021-10-25 19:12:48 +02:00
parent 3f181fa596
commit a94f446dd0
1 changed files with 0 additions and 11 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

11
org/qmckl_local_energy.org
View File

@ -412,16 +412,6 @@ integer function qmckl_compute_kinetic_energy_f(context, walk_num, &
return
endif
print *,"Size of mo_vgl=",size(mo_vgl)
print *,"Size of mo_index_alpha=",size(mo_index_alpha)
print *,"Size of mo_index_beta=",size(mo_index_beta)
print *,"Size of det_adj_matrix_alpha=",size(det_adj_matrix_alpha)
print *,"Size of det_adj_matrix_beta=",size(det_adj_matrix_beta)
print *,"num_alpha = ",alpha_num
print *,"num_beta = ",beta_num
print *,"det_num_alpha = ",det_num_alpha
print *,"det_num_beta = ",det_num_beta
print *,"walk_num = ",walk_num
e_kin = 0.0d0
do idet = 1, det_num_alpha
do iwalk = 1, walk_num
@ -437,7 +427,6 @@ integer function qmckl_compute_kinetic_energy_f(context, walk_num, &
do imo = 1, beta_num
do ielec = 1, beta_num
mo_id = mo_index_beta(ielec, iwalk, idet)
print *,mo_id, imo, ielec, iwalk, idet
e_kin(iwalk) = e_kin(iwalk) - 0.5d0 * det_adj_matrix_beta(imo, ielec, iwalk, idet)
! mo_vgl(mo_id, ielec, 5)
end do