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commented loops

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This commit is contained in:
Anthony Scemama 2024-02-07 17:06:27 +01:00
parent f08ed5da6d
commit 6caf3521a4
1 changed files with 6 additions and 2 deletions
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@ -5799,12 +5799,14 @@ qmckl_compute_ao_value_hpc_gaussian (const qmckl_context context,
#endif #endif
for (int64_t ipoint=0 ; ipoint < point_num ; ++ipoint) { for (int64_t ipoint=0 ; ipoint < point_num ; ++ipoint) {
/*
double* const ptr = &ao_value[ipoint*ao_num]; double* const ptr = &ao_value[ipoint*ao_num];
for (size_t k=0 ; k<ao_num ; ++k) { for (size_t k=0 ; k<ao_num ; ++k) {
ptr[k] = 0.; ptr[k] = 0.;
} }
*/
// memset(&ao_value[ipoint*ao_num], 0, ao_num*sizeof(double)); memset(&ao_value[ipoint*ao_num], 0, ao_num*sizeof(double));
const double e_coord[3] __attribute__((aligned(64))) = const double e_coord[3] __attribute__((aligned(64))) =
{ coord[ipoint], { coord[ipoint],
@ -6595,12 +6597,14 @@ qmckl_compute_ao_vgl_hpc_gaussian (
#endif #endif
for (int64_t ipoint=0 ; ipoint < point_num ; ++ipoint) { for (int64_t ipoint=0 ; ipoint < point_num ; ++ipoint) {
/*
double* const ptr = &ao_vgl[ipoint*5*ao_num]; double* const ptr = &ao_vgl[ipoint*5*ao_num];
for (size_t k=0 ; k<5*ao_num ; ++k) { for (size_t k=0 ; k<5*ao_num ; ++k) {
ptr[k] = 0.; ptr[k] = 0.;
} }
*/
// memset(&ao_vgl[ipoint*ao_num*5], 0, 5*ao_num*sizeof(double)); memset(&ao_vgl[ipoint*ao_num*5], 0, 5*ao_num*sizeof(double));
const double e_coord[3] __attribute__((aligned(64))) = const double e_coord[3] __attribute__((aligned(64))) =
{ coord[ipoint], { coord[ipoint],