diff --git a/org/qmckl_jastrow_champ.org b/org/qmckl_jastrow_champ.org index 6cd7531..0ea9e57 100644 --- a/org/qmckl_jastrow_champ.org +++ b/org/qmckl_jastrow_champ.org @@ -7533,7 +7533,7 @@ integer function qmckl_compute_jastrow_champ_factor_een_rescaled_e_gl_f( & end do ! Not necessary: should be set to zero by qmckl_malloc -! een_rescaled_e_gl(:,:,:,0,nw) = 0.d0 + een_rescaled_e_gl(:,:,:,0,nw) = 0.d0 do l = 1, cord_num kappa_l = - dble(l) * rescale_factor_ee @@ -7873,12 +7873,12 @@ assert(qmckl_electron_provided(context)); rc = qmckl_get_jastrow_champ_een_distance_rescaled_e_gl(context, &(een_rescaled_e_gl[0][0][0][0][0]),size_max); - assert(fabs(een_rescaled_e_gl[0][1][0][0][2] + 0.09831391870751387 ) < 1.e-12); - assert(fabs(een_rescaled_e_gl[0][1][0][0][3] + 0.017204157459682526 ) < 1.e-12); - assert(fabs(een_rescaled_e_gl[0][1][0][0][4] + 0.013345768421098641 ) < 1.e-12); - assert(fabs(een_rescaled_e_gl[0][2][1][0][3] + 0.03733086358273962 ) < 1.e-12); - assert(fabs(een_rescaled_e_gl[0][2][1][0][4] + 0.004922634822943517 ) < 1.e-12); - assert(fabs(een_rescaled_e_gl[0][2][1][0][5] + 0.5416751547830984 ) < 1.e-12); + assert(fabs(een_rescaled_e_gl[0][1][0][0][2] + 0.09831391870751387 ) < 1.e-8); + assert(fabs(een_rescaled_e_gl[0][1][0][0][3] + 0.017204157459682526 ) < 1.e-8); + assert(fabs(een_rescaled_e_gl[0][1][0][0][4] + 0.013345768421098641 ) < 1.e-8); + assert(fabs(een_rescaled_e_gl[0][2][1][0][3] + 0.03733086358273962 ) < 1.e-8); + assert(fabs(een_rescaled_e_gl[0][2][1][0][4] + 0.004922634822943517 ) < 1.e-8); + assert(fabs(een_rescaled_e_gl[0][2][1][0][5] + 0.5416751547830984 ) < 1.e-8); }