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Renamed nucleus_kappa to rescale_factor_kappa after merge. #17
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@ -710,8 +710,9 @@ int64_t walk_num = chbrclf_walk_num;
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int64_t elec_num = chbrclf_elec_num;
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int64_t elec_up_num = chbrclf_elec_up_num;
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int64_t elec_dn_num = chbrclf_elec_dn_num;
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double rescale_factor_kappa_ee = 2.0;
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double rescale_factor_kappa_en = 3.0;
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double rescale_factor_kappa_ee = 1.0;
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double rescale_factor_kappa_en = 1.0;
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double nucl_rescale_factor_kappa = 1.0;
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double* elec_coord = &(chbrclf_elec_coord[0][0][0]);
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int64_t nucl_num = chbrclf_nucl_num;
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@ -2299,7 +2300,7 @@ assert(qmckl_electron_provided(context));
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rc = qmckl_set_nucleus_num (context, nucl_num);
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assert(rc == QMCKL_SUCCESS);
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rc = qmckl_set_nucleus_kappa (context, nucl_rescale_factor_kappa);
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rc = qmckl_set_nucleus_rescale_factor (context, nucl_rescale_factor_kappa);
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assert(rc == QMCKL_SUCCESS);
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rc = qmckl_set_nucleus_charge (context, charge);
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@ -426,7 +426,7 @@ qmckl_set_nucleus_rescale_factor(qmckl_context context, const double rescale_fac
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if (rescale_factor_kappa <= 0.0) {
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return qmckl_failwith( context,
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QMCKL_INVALID_ARG_2,
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"qmckl_set_nucleus_kappa",
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"qmckl_set_nucleus_rescale_factor",
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"rescale_factor_kappa cannot be <= 0.");
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}
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