@@ -3085,6 +3085,8 @@ integer(qmckl_exit_code) function qmckl_compute_forces_jastrow_een( &
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forces_jastrow_een = 0.d0
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+ if (cord_num == 0) return
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+
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do nw =1, walk_num
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do n = 1, dim_c_vector
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l = lkpm_combined_index(n, 1)
@@ -4961,34 +4963,36 @@ qmckl_exit_code qmckl_provide_forces_jastrow_single_een(qmckl_context context)
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NULL);
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}
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- /* Check if en rescaled distance is provided */
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- rc = qmckl_provide_een_rescaled_n(context);
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- if(rc != QMCKL_SUCCESS) return rc;
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+ if (ctx->jastrow_champ.cord_num > 0) {
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- /* Check if en rescaled distance derivatives is provided */
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- rc = qmckl_provide_een_rescaled_n_gl (context);
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- if(rc != QMCKL_SUCCESS) return rc;
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+ /* Check if en rescaled distance is provided */
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+ rc = qmckl_provide_een_rescaled_n (context);
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+ if(rc != QMCKL_SUCCESS) return rc;
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- /* Check if en rescaled distance is provided */
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- rc = qmckl_provide_een_rescaled_single_n (context);
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- if(rc != QMCKL_SUCCESS) return rc;
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+ /* Check if en rescaled distance derivatives is provided */
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+ rc = qmckl_provide_een_rescaled_n_gl (context);
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+ if(rc != QMCKL_SUCCESS) return rc;
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- /* Check if en rescaled distance derivatives is provided */
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- rc = qmckl_provide_een_rescaled_single_n_gl (context);
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- if(rc != QMCKL_SUCCESS) return rc;
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+ /* Check if en rescaled distance is provided */
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+ rc = qmckl_provide_een_rescaled_single_n (context);
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+ if(rc != QMCKL_SUCCESS) return rc;
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- rc = qmckl_provide_tmp_c(context);
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- if(rc != QMCKL_SUCCESS) return rc;
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+ /* Check if en rescaled distance derivatives is provided */
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+ rc = qmckl_provide_een_rescaled_single_n_gl(context);
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+ if(rc != QMCKL_SUCCESS) return rc;
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- rc = qmckl_provide_forces_tmp_c (context);
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- if(rc != QMCKL_SUCCESS) return rc;
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+ rc = qmckl_provide_tmp_c (context);
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+ if(rc != QMCKL_SUCCESS) return rc;
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- rc = qmckl_provide_jastrow_champ_delta_p (context);
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- if(rc != QMCKL_SUCCESS) return rc;
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+ rc = qmckl_provide_forces_tmp_c (context);
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+ if(rc != QMCKL_SUCCESS) return rc;
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- rc = qmckl_provide_forces_jastrow_delta_p (context);
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- if(rc != QMCKL_SUCCESS) return rc;
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+ rc = qmckl_provide_jastrow_champ_delta_p (context);
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+ if(rc != QMCKL_SUCCESS) return rc;
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+ rc = qmckl_provide_forces_jastrow_delta_p(context);
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+ if(rc != QMCKL_SUCCESS) return rc;
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+ }
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/* Compute if necessary */
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