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Cosmetics
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43b996dad9
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@ -76,16 +76,13 @@ int test_cycle(H5File file, int cycle, std::string version, double tolerance) {
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#ifdef DEBUG2
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#ifdef DEBUG2
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showMatrix(slater_matrix, dim, "OLD Slater");
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showMatrix(slater_matrix, dim, "OLD Slater");
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#endif
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#ifdef DEBUG2
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showMatrix(u, dim, "Updates");
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showMatrix(u, dim, "Updates");
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#endif
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#endif
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#ifdef PERF
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#ifdef PERF
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#ifdef DEBUG1
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#ifdef DEBUG1
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std::cerr << "# of reps. = " << repetition_number << std::endl;
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std::cerr << "# of reps. = " << repetition_number << std::endl;
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#endif
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#endif // DEBUG1
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double *slater_inverse_nonpersistent = new double[dim * dim];
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double *slater_inverse_nonpersistent = new double[dim * dim];
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if (version == "sm1") {
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if (version == "sm1") {
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for (unsigned int i = 0; i < repetition_number; i++) {
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for (unsigned int i = 0; i < repetition_number; i++) {
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@ -140,7 +137,7 @@ int test_cycle(H5File file, int cycle, std::string version, double tolerance) {
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}
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}
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std::memcpy(slater_inverse, slater_inverse_nonpersistent, dim * dim * sizeof(double));
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std::memcpy(slater_inverse, slater_inverse_nonpersistent, dim * dim * sizeof(double));
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delete[] slater_inverse_nonpersistent;
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delete[] slater_inverse_nonpersistent;
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#else
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#else // No performance measurements repetition
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if (version == "maponia3") {
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if (version == "maponia3") {
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MaponiA3(slater_inverse, dim, nupdates, u, col_update_index);
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MaponiA3(slater_inverse, dim, nupdates, u, col_update_index);
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} else if (version == "maponia3s") {
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} else if (version == "maponia3s") {
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@ -178,9 +175,6 @@ int test_cycle(H5File file, int cycle, std::string version, double tolerance) {
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#ifdef DEBUG2
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#ifdef DEBUG2
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showMatrix(slater_matrix, dim, "NEW Slater");
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showMatrix(slater_matrix, dim, "NEW Slater");
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#endif
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#ifdef DEBUG2
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showMatrix(slater_inverse, dim, "NEW Inverse");
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showMatrix(slater_inverse, dim, "NEW Inverse");
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#endif
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#endif
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