Fixed memset

Author: scemama

org/qmckl_jastrow_champ.org

@@ -11503,8 +11503,8 @@ qmckl_compute_jastrow_champ_factor_een_gl_hpc(const qmckl_context context,
 #pragma omp parallel for
 #endif
   for (size_t nw = 0; nw < (size_t) walk_num; ++nw) {
-    bool touched = false;
     double* const restrict factor_een_gl_0nw = &(factor_een_gl[elec_num*4*nw]);
+    memset(factor_een_gl_0nw, 0, elec_num*4*sizeof(double));
     for (size_t n = 0; n < (size_t) dim_c_vector; ++n) {
       const size_t l = lkpm_combined_index[n];
       const size_t k = lkpm_combined_index[n+  dim_c_vector];
@@ -11561,11 +11561,10 @@ qmckl_compute_jastrow_champ_factor_een_gl_hpc(const qmckl_context context,
 
         double tmp3[elec_num];
 
-        if (touched) {
 #ifdef HAVE_OPENMP
 #pragma omp simd
 #endif
-          for (size_t j = 0; j < (size_t) elec_num; ++j) {
+        for (size_t j = 0; j < (size_t) elec_num; ++j) {
 
             factor_een_gl_0nw[j] = factor_een_gl_0nw[j] + cn * (
                dtmp_c_0amknw [j] * een_rescaled_n_amlnw[j]  +
@@ -11576,12 +11575,12 @@ qmckl_compute_jastrow_champ_factor_een_gl_hpc(const qmckl_context context,
             tmp3[j] =
               dtmp_c_0amknw [j]  * een_rescaled_n_gl_0amlnw[j] +
               dtmp_c_0amlknw[j]  * een_rescaled_n_gl_0amnw [j];
-            }
+          }
 
 #ifdef HAVE_OPENMP
 #pragma omp simd
 #endif
-          for (size_t j = 0; j < (size_t) elec_num; ++j) {
+        for (size_t j = 0; j < (size_t) elec_num; ++j) {
 
             factor_een_gl_1nw[j] = factor_een_gl_1nw[j] + cn * (
                dtmp_c_1amknw [j] * een_rescaled_n_amlnw[j]  +
@@ -11592,12 +11591,12 @@ qmckl_compute_jastrow_champ_factor_een_gl_hpc(const qmckl_context context,
             tmp3[j] = tmp3[j] +
               dtmp_c_1amknw [j] * een_rescaled_n_gl_1amlnw[j] +
               dtmp_c_1amlknw[j] * een_rescaled_n_gl_1amnw [j];
-          }
+        }
 
 #ifdef HAVE_OPENMP
 #pragma omp simd
 #endif
-          for (size_t j = 0; j < (size_t) elec_num; ++j) {
+        for (size_t j = 0; j < (size_t) elec_num; ++j) {
 
             factor_een_gl_2nw[j] = factor_een_gl_2nw[j] + cn * (
                dtmp_c_2amknw [j] * een_rescaled_n_amlnw[j]  +
@@ -11608,12 +11607,12 @@ qmckl_compute_jastrow_champ_factor_een_gl_hpc(const qmckl_context context,
             tmp3[j] = tmp3[j] +
               dtmp_c_2amknw [j] * een_rescaled_n_gl_2amlnw[j] +
               dtmp_c_2amlknw[j] * een_rescaled_n_gl_2amnw [j];
-          }
+        }
 
 #ifdef HAVE_OPENMP
 #pragma omp simd
 #endif
-          for (size_t j = 0; j < (size_t) elec_num; ++j) {
+        for (size_t j = 0; j < (size_t) elec_num; ++j) {
             factor_een_gl_3nw[j] = factor_een_gl_3nw[j] + cn * (
                dtmp_c_3amknw [j] * een_rescaled_n_amlnw[j] +
                dtmp_c_3amlknw[j] * een_rescaled_n_amnw [j] +
@@ -11622,76 +11621,8 @@ qmckl_compute_jastrow_champ_factor_een_gl_hpc(const qmckl_context context,
                tmp3[j]*2.0);
           }
 
-        } else {
-
-          touched = true;
-
-#ifdef HAVE_OPENMP
-#pragma omp simd
-#endif
-          for (size_t j = 0; j < (size_t) elec_num; ++j) {
-
-            factor_een_gl_0nw[j] = cn * (
-               dtmp_c_0amknw [j] * een_rescaled_n_amlnw[j]  +
-               dtmp_c_0amlknw[j] * een_rescaled_n_amnw [j]  +
-               tmp_c_amkn [j] * een_rescaled_n_gl_0amlnw[j] +
-               tmp_c_amlkn[j] * een_rescaled_n_gl_0amnw [j]);
-
-            tmp3[j] =
-              dtmp_c_0amknw [j] * een_rescaled_n_gl_0amlnw[j] +
-              dtmp_c_0amlknw[j] * een_rescaled_n_gl_0amnw [j];
-            }
-
-#ifdef HAVE_OPENMP
-#pragma omp simd
-#endif
-          for (size_t j = 0; j < (size_t) elec_num; ++j) {
-
-            factor_een_gl_1nw[j] = cn * (
-               dtmp_c_1amknw [j] * een_rescaled_n_amlnw[j]  +
-               dtmp_c_1amlknw[j] * een_rescaled_n_amnw [j]  +
-               tmp_c_amkn [j] * een_rescaled_n_gl_1amlnw[j] +
-               tmp_c_amlkn[j] * een_rescaled_n_gl_1amnw [j]);
-
-            tmp3[j] = tmp3[j] +
-              dtmp_c_1amknw [j] * een_rescaled_n_gl_1amlnw[j] +
-              dtmp_c_1amlknw[j] * een_rescaled_n_gl_1amnw [j];
-          }
-
-#ifdef HAVE_OPENMP
-#pragma omp simd
-#endif
-          for (size_t j = 0; j < (size_t) elec_num; ++j) {
-
-            factor_een_gl_2nw[j] = cn * (
-               dtmp_c_2amknw [j] * een_rescaled_n_amlnw[j]  +
-               dtmp_c_2amlknw[j] * een_rescaled_n_amnw [j]  +
-               tmp_c_amkn [j] * een_rescaled_n_gl_2amlnw[j] +
-               tmp_c_amlkn[j] * een_rescaled_n_gl_2amnw [j]);
-
-            tmp3[j] = tmp3[j] +
-              dtmp_c_2amknw[j]  * een_rescaled_n_gl_2amlnw[j] +
-              dtmp_c_2amlknw[j]  * een_rescaled_n_gl_2amnw[j];
-          }
-
-#ifdef HAVE_OPENMP
-#pragma omp simd
-#endif
-          for (size_t j = 0; j < (size_t) elec_num; ++j) {
-            factor_een_gl_3nw[j] = cn * (
-               dtmp_c_3amknw [j] * een_rescaled_n_amlnw[j]  +
-               dtmp_c_3amlknw[j] * een_rescaled_n_amnw [j]  +
-               tmp_c_amkn [j] * een_rescaled_n_gl_3amlnw[j] +
-               tmp_c_amlkn[j] * een_rescaled_n_gl_3amnw [j] +
-               tmp3[j]*2.0);
-          }
-
-        }
       }
     }
-    if (!touched) {
-      memset(factor_een_gl_0nw, 0, elec_num*4*sizeof(double));
-    }
   }
   return info;
 }