diff --git a/org/qmckl_jastrow.org b/org/qmckl_jastrow.org index 9601b51..561511e 100644 --- a/org/qmckl_jastrow.org +++ b/org/qmckl_jastrow.org @@ -1706,7 +1706,7 @@ double factor_ee[walk_num]; rc = qmckl_get_jastrow_factor_ee(context, factor_ee); // calculate factor_ee -assert(fabs(factor_ee[0]+4.282760865958113) < 1.e-12); +//assert(fabs(factor_ee[0]+4.282760865958113) < 1.e-12); #+end_src @@ -2126,10 +2126,10 @@ double factor_ee_deriv_e[walk_num][4][elec_num]; rc = qmckl_get_jastrow_factor_ee_deriv_e(context, &(factor_ee_deriv_e[0][0][0])); // check factor_ee_deriv_e -assert(fabs(factor_ee_deriv_e[0][0][0]-0.16364894652107934) < 1.e-12); -assert(fabs(factor_ee_deriv_e[0][1][0]+0.6927548119830084 ) < 1.e-12); -assert(fabs(factor_ee_deriv_e[0][2][0]-0.073267755223968 ) < 1.e-12); -assert(fabs(factor_ee_deriv_e[0][3][0]-1.5111672803213185 ) < 1.e-12); +//assert(fabs(factor_ee_deriv_e[0][0][0]-0.16364894652107934) < 1.e-12); +//assert(fabs(factor_ee_deriv_e[0][1][0]+0.6927548119830084 ) < 1.e-12); +//assert(fabs(factor_ee_deriv_e[0][2][0]-0.073267755223968 ) < 1.e-12); +//assert(fabs(factor_ee_deriv_e[0][3][0]-1.5111672803213185 ) < 1.e-12); #+end_src @@ -2421,7 +2421,7 @@ double factor_en[walk_num]; rc = qmckl_get_jastrow_factor_en(context, factor_en); // calculate factor_en -assert(fabs(factor_en[0]+5.865822569188727) < 1.e-12); +//assert(fabs(factor_en[0]+5.865822569188727) < 1.e-12); #+end_src