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Reinstate tests for factor_ee_deriv_e. #22
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@ -2140,18 +2140,18 @@ print(factor_ee_deriv_e)
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#+begin_src c :tangle (eval c_test)
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///* Check if Jastrow is properly initialized */
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//assert(qmckl_jastrow_provided(context));
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//
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//// calculate factor_ee_deriv_e
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//double factor_ee_deriv_e[walk_num][4][elec_num];
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//rc = qmckl_get_jastrow_factor_ee_deriv_e(context, &(factor_ee_deriv_e[0][0][0]));
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//
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//// check factor_ee_deriv_e
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//assert(fabs(factor_ee_deriv_e[0][0][0]-0.16364894652107934) < 1.e-12);
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//assert(fabs(factor_ee_deriv_e[0][1][0]+0.6927548119830084 ) < 1.e-12);
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//assert(fabs(factor_ee_deriv_e[0][2][0]-0.073267755223968 ) < 1.e-12);
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//assert(fabs(factor_ee_deriv_e[0][3][0]-1.5111672803213185 ) < 1.e-12);
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/* Check if Jastrow is properly initialized */
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assert(qmckl_jastrow_provided(context));
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// calculate factor_ee_deriv_e
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double factor_ee_deriv_e[walk_num][4][elec_num];
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rc = qmckl_get_jastrow_factor_ee_deriv_e(context, &(factor_ee_deriv_e[0][0][0]));
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// check factor_ee_deriv_e
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assert(fabs(factor_ee_deriv_e[0][0][0]-0.16364894652107934) < 1.e-12);
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assert(fabs(factor_ee_deriv_e[0][1][0]+0.6927548119830084 ) < 1.e-12);
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assert(fabs(factor_ee_deriv_e[0][2][0]-0.073267755223968 ) < 1.e-12);
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assert(fabs(factor_ee_deriv_e[0][3][0]-1.5111672803213185 ) < 1.e-12);
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#+end_src
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