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commented loops
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@ -5799,12 +5799,14 @@ qmckl_compute_ao_value_hpc_gaussian (const qmckl_context context,
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#endif
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for (int64_t ipoint=0 ; ipoint < point_num ; ++ipoint) {
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/*
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double* const ptr = &ao_value[ipoint*ao_num];
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for (size_t k=0 ; k<ao_num ; ++k) {
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ptr[k] = 0.;
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}
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*/
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// memset(&ao_value[ipoint*ao_num], 0, ao_num*sizeof(double));
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memset(&ao_value[ipoint*ao_num], 0, ao_num*sizeof(double));
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const double e_coord[3] __attribute__((aligned(64))) =
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{ coord[ipoint],
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@ -6595,12 +6597,14 @@ qmckl_compute_ao_vgl_hpc_gaussian (
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#endif
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for (int64_t ipoint=0 ; ipoint < point_num ; ++ipoint) {
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/*
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double* const ptr = &ao_vgl[ipoint*5*ao_num];
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for (size_t k=0 ; k<5*ao_num ; ++k) {
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ptr[k] = 0.;
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}
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*/
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// memset(&ao_vgl[ipoint*ao_num*5], 0, 5*ao_num*sizeof(double));
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memset(&ao_vgl[ipoint*ao_num*5], 0, 5*ao_num*sizeof(double));
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const double e_coord[3] __attribute__((aligned(64))) =
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{ coord[ipoint],
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