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Fixed shadowed variables

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This commit is contained in:
Anthony Scemama 2023-01-26 17:55:06 +01:00
parent 8a0a7585f9
commit 93083fbdfe
1 changed files with 2 additions and 4 deletions
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org/qmckl_jastrow.org
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@ -2669,7 +2669,6 @@ qmckl_exit_code qmckl_compute_factor_ee_deriv_e_hpc(
const double* ee_distance_rescaled_deriv_e, const double* ee_distance_rescaled_deriv_e,
double* const factor_ee_deriv_e ) { double* const factor_ee_deriv_e ) {
int64_t ii;
double pow_ser_g[3]; double pow_ser_g[3];
double dx[4]; double dx[4];
double x, spin_fact, y; double x, spin_fact, y;
@ -2756,7 +2755,7 @@ qmckl_exit_code qmckl_compute_factor_ee_deriv_e_hpc(
+ pow_ser_g[ii] ; + pow_ser_g[ii] ;
} }
ii = 3; int ii = 3;
lap2 = lap2 * dx[ii] * third; lap2 = lap2 * dx[ii] * third;
lap3 = lap3 + den * dx[ii]; lap3 = lap3 + den * dx[ii];
lap3 = lap3 * (spin_fact * b_vector[0] * invden3); lap3 = lap3 * (spin_fact * b_vector[0] * invden3);
@ -4991,7 +4990,6 @@ qmckl_exit_code qmckl_compute_een_rescaled_e_hpc (
double x; double x;
const int64_t elec_pairs = (elec_num * (elec_num - 1)) / 2; const int64_t elec_pairs = (elec_num * (elec_num - 1)) / 2;
const int64_t len_een_ij = elec_pairs * (cord_num + 1); const int64_t len_een_ij = elec_pairs * (cord_num + 1);
int64_t k;
// number of elements for the een_rescaled_e_ij[N_e*(N_e-1)/2][cord+1] // number of elements for the een_rescaled_e_ij[N_e*(N_e-1)/2][cord+1]
// probably in C is better [cord+1, Ne*(Ne-1)/2] // probably in C is better [cord+1, Ne*(Ne-1)/2]
@ -5025,7 +5023,7 @@ qmckl_exit_code qmckl_compute_een_rescaled_e_hpc (
een_rescaled_e_ij[kk]= ( kk < (elec_pairs) ? 1.0 : 0.0 ); een_rescaled_e_ij[kk]= ( kk < (elec_pairs) ? 1.0 : 0.0 );
} }
k = 0; int64_t k = 0;
for (int i = 0; i < elec_num; ++i) { for (int i = 0; i < elec_num; ++i) {
for (int j = 0; j < i; ++j) { for (int j = 0; j < i; ++j) {
// een_rescaled_e_ij(k, 2) = dexp(-rescale_factor_ee * ee_distance(i, j, nw)); // een_rescaled_e_ij(k, 2) = dexp(-rescale_factor_ee * ee_distance(i, j, nw));