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Threshold in tests
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org/qmckl_jastrow_champ.org

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -10545,7 +10545,7 @@ assert(fabs(factor_een[0] + 0.382580260174321) < 1e-12);
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printf("factor_een[%ld] = %e\n", i, factor_een[i]);
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printf("factor_een_naive[%ld] = %e\n", i, factor_een_naive[i]);
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}
10548-
assert(fabs(factor_een[i] - factor_een_naive[i]) < 1e-12);
10548+
assert(fabs(factor_een[i] - factor_een_naive[i]) < 1e-8);
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}
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}
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#+end_src
@@ -11890,7 +11890,7 @@ assert(qmckl_jastrow_champ_provided(context));
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for (int nw=0 ; nw<walk_num ; nw++) {
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for (int k=0 ; k<3; k++) {
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for (int i=0 ; i<elec_num ; i++) {
11893-
assert(fabs(factor_een_gl[nw][k][i] - factor_een_grad[nw][k][i]) < 1e-12);
11893+
assert(fabs(factor_een_gl[nw][k][i] - factor_een_grad[nw][k][i]) < 1e-8);
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}
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}
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}
@@ -12981,7 +12981,7 @@ assert(qmckl_jastrow_champ_provided(context));
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printf("total_j_grad = %20.15e\n", total_j_grad[k][m][e]);
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fflush(stdout);
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}
12984-
assert (fabs(total_j_deriv[k][m][e] - total_j_grad[k][m][e]) < 1.e-12);
12984+
assert (fabs(total_j_deriv[k][m][e] - total_j_grad[k][m][e]) < 1.e-8);
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}
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}
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}

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