@@ -7533,7 +7533,7 @@ integer function qmckl_compute_jastrow_champ_factor_een_rescaled_e_gl_f( &
7533
7533
end do
7534
7534
7535
7535
! Not necessary: should be set to zero by qmckl_malloc
7536
- ! een_rescaled_e_gl(:,:,:,0,nw) = 0.d0
7536
+ een_rescaled_e_gl(:,:,:,0,nw) = 0.d0
7537
7537
7538
7538
do l = 1, cord_num
7539
7539
kappa_l = - dble(l) * rescale_factor_ee
@@ -7873,12 +7873,12 @@ assert(qmckl_electron_provided(context));
7873
7873
rc = qmckl_get_jastrow_champ_een_distance_rescaled_e_gl(context,
7874
7874
&(een_rescaled_e_gl[0][0][0][0][0]),size_max);
7875
7875
7876
- assert(fabs(een_rescaled_e_gl[0][1][0][0][2] + 0.09831391870751387 ) < 1.e-12 );
7877
- assert(fabs(een_rescaled_e_gl[0][1][0][0][3] + 0.017204157459682526 ) < 1.e-12 );
7878
- assert(fabs(een_rescaled_e_gl[0][1][0][0][4] + 0.013345768421098641 ) < 1.e-12 );
7879
- assert(fabs(een_rescaled_e_gl[0][2][1][0][3] + 0.03733086358273962 ) < 1.e-12 );
7880
- assert(fabs(een_rescaled_e_gl[0][2][1][0][4] + 0.004922634822943517 ) < 1.e-12 );
7881
- assert(fabs(een_rescaled_e_gl[0][2][1][0][5] + 0.5416751547830984 ) < 1.e-12 );
7876
+ assert(fabs(een_rescaled_e_gl[0][1][0][0][2] + 0.09831391870751387 ) < 1.e-8 );
7877
+ assert(fabs(een_rescaled_e_gl[0][1][0][0][3] + 0.017204157459682526 ) < 1.e-8 );
7878
+ assert(fabs(een_rescaled_e_gl[0][1][0][0][4] + 0.013345768421098641 ) < 1.e-8 );
7879
+ assert(fabs(een_rescaled_e_gl[0][2][1][0][3] + 0.03733086358273962 ) < 1.e-8 );
7880
+ assert(fabs(een_rescaled_e_gl[0][2][1][0][4] + 0.004922634822943517 ) < 1.e-8 );
7881
+ assert(fabs(een_rescaled_e_gl[0][2][1][0][5] + 0.5416751547830984 ) < 1.e-8 );
7882
7882
}
7883
7883
7884
7884
0 commit comments