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Fixed bug in Jastrow en HPC

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Anthony Scemama 2023-09-27 22:12:26 +02:00
parent c70b7b246b
commit eaa44b45c4
1 changed files with 1 additions and 1 deletions
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org/qmckl_jastrow_champ.org
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@ -4481,7 +4481,7 @@ qmckl_exit_code qmckl_compute_jastrow_champ_factor_en_hpc (
for (int64_t a=0 ; a<nucl_num ; ++a) {
const double* en_distance_rescaled__ = &(en_distance_rescaled_[a*elec_num]);
const double* a_vec = &(a_vector[type_nucl_vector[a]]);
const double* a_vec = &(a_vector[(aord_num+1)*type_nucl_vector[a]]);
factor_en[nw] -= asymp_jasa[type_nucl_vector[a]]*de;