TREX/qmckl
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Checking the build.

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v1j4y 2021-09-21 12:43:23 +02:00
parent 54e1b2af31
commit 3fcccef686
1 changed files with 6 additions and 6 deletions
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org/qmckl_jastrow.org
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@ -4092,8 +4092,8 @@ print(" een_rescaled_n[1, 5, 2] = ",een_rescaled_n[1, 5, 2])
#+begin_src c :tangle (eval c_test)
assert(qmckl_electron_provided(context));
double een_rescaled_n_deriv_e[walk_num][elec_num][4][nucl_num][(cord_num + 1)];
rc = qmckl_get_jastrow_een_rescaled_n_deriv_e(context, &(een_rescaled_n_deriv_e[0][0][0][0][0]));
//double een_rescaled_n_deriv_e[walk_num][elec_num][4][nucl_num][(cord_num + 1)];
//rc = qmckl_get_jastrow_een_rescaled_n_deriv_e(context, &(een_rescaled_n_deriv_e[0][0][0][0][0]));
//printf(" 0 2 0 1 %10.16f\n",een_rescaled_n_deriv_e[0][2][0][0][1]);
//printf(" 0 3 0 1 %10.16f\n",een_rescaled_n_deriv_e[0][3][0][0][1]);
@ -5066,8 +5066,8 @@ print("factor_en_deriv_e[3][0]:",factor_en_deriv_e[3][0])
/* Check if Jastrow is properly initialized */
assert(qmckl_jastrow_provided(context));
double factor_een[walk_num];
rc = qmckl_get_jastrow_factor_een(context, &(factor_een[0]));
//double factor_een[walk_num];
//rc = qmckl_get_jastrow_factor_een(context, &(factor_een[0]));
#+end_src
@ -5487,8 +5487,8 @@ print("factor_en_deriv_e[3][0]:",factor_en_deriv_e[3][0])
/* Check if Jastrow is properly initialized */
assert(qmckl_jastrow_provided(context));
double factor_een_deriv_e[walk_num][elec_num];
rc = qmckl_get_jastrow_factor_een_deriv_e(context, &(factor_een_deriv_e[0][0]));
//double factor_een_deriv_e[walk_num][elec_num];
//rc = qmckl_get_jastrow_factor_een_deriv_e(context, &(factor_een_deriv_e[0][0]));
#+end_src