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Fix bad style

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This commit is contained in:
Anthony Scemama 2022-05-06 00:18:23 +02:00
parent 2ea9e50421
commit b70dd91db9
1 changed files with 2 additions and 2 deletions
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org/qmckl_mo.org
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@ -805,6 +805,8 @@ qmckl_compute_mo_basis_mo_vgl_hpc (const qmckl_context context,
const double* restrict ao_vgl, const double* restrict ao_vgl,
double* restrict const mo_vgl ) double* restrict const mo_vgl )
{ {
assert (context != QMCKL_NULL_CONTEXT);
#ifdef HAVE_OPENMP #ifdef HAVE_OPENMP
#pragma omp parallel for #pragma omp parallel for
#endif #endif
@ -837,7 +839,6 @@ qmckl_compute_mo_basis_mo_vgl_hpc (const qmckl_context context,
double av4[ao_num]; double av4[ao_num];
double av5[ao_num]; double av5[ao_num];
for (int64_t k=0 ; k<ao_num ; ++k) { for (int64_t k=0 ; k<ao_num ; ++k) {
const double* restrict ck1 = coef_normalized_t + k*mo_num;
if (avgl1[k] != 0.) { if (avgl1[k] != 0.) {
idx[nidx] = k; idx[nidx] = k;
av1[nidx] = avgl1[k]; av1[nidx] = avgl1[k];
@ -852,7 +853,6 @@ qmckl_compute_mo_basis_mo_vgl_hpc (const qmckl_context context,
int64_t n; int64_t n;
for (n=0 ; n < nidx-4 ; n+=4) { for (n=0 ; n < nidx-4 ; n+=4) {
int64_t k = idx[n];
const double* restrict ck1 = coef_normalized_t + idx[n ]*mo_num; const double* restrict ck1 = coef_normalized_t + idx[n ]*mo_num;
const double* restrict ck2 = coef_normalized_t + idx[n+1]*mo_num; const double* restrict ck2 = coef_normalized_t + idx[n+1]*mo_num;
const double* restrict ck3 = coef_normalized_t + idx[n+2]*mo_num; const double* restrict ck3 = coef_normalized_t + idx[n+2]*mo_num;