TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-31 08:36:11 +01:00
Code Issues Projects Releases Wiki Activity

Fixing memset

Browse Source
This commit is contained in:
Anthony Scemama 2024-02-06 22:39:52 +01:00
parent 3a73e5722b
commit f08ed5da6d
1 changed files with 12 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

14
org/qmckl_ao.org
View File

@ -5799,7 +5799,12 @@ qmckl_compute_ao_value_hpc_gaussian (const qmckl_context context,
#endif
for (int64_t ipoint=0 ; ipoint < point_num ; ++ipoint) {
memset(&ao_value[ipoint*ao_num], 0, ao_num*sizeof(double));
double* const ptr = &ao_value[ipoint*ao_num];
for (size_t k=0 ; k<ao_num ; ++k) {
ptr[k] = 0.;
}
// memset(&ao_value[ipoint*ao_num], 0, ao_num*sizeof(double));
const double e_coord[3] __attribute__((aligned(64))) =
{ coord[ipoint],
@ -6590,7 +6595,12 @@ qmckl_compute_ao_vgl_hpc_gaussian (
#endif
for (int64_t ipoint=0 ; ipoint < point_num ; ++ipoint) {
memset(&ao_vgl[ipoint*ao_num*5], 0, 5*ao_num*sizeof(double));
double* const ptr = &ao_vgl[ipoint*5*ao_num];
for (size_t k=0 ; k<5*ao_num ; ++k) {
ptr[k] = 0.;
}
// memset(&ao_vgl[ipoint*ao_num*5], 0, 5*ao_num*sizeof(double));
const double e_coord[3] __attribute__((aligned(64))) =
{ coord[ipoint],