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https://github.com/TREX-CoE/qmckl.git
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Fixed tests
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@ -3418,6 +3418,7 @@ print ( "[4][1][15][14] : %25.15e"% lf(a,x,y))
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}
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}
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printf("Average precision for %d: %d\n", qmckl_get_numprec_precision(context),
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printf("Average precision for %d: %d\n", qmckl_get_numprec_precision(context),
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(int) (average_prec/(point_num*chbrclf_mo_num)));
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(int) (average_prec/(point_num*chbrclf_mo_num)));
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assert(nbits > 12);
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fflush(stdout);
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fflush(stdout);
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average_prec = 0;
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average_prec = 0;
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@ -3443,9 +3444,9 @@ print ( "[4][1][15][14] : %25.15e"% lf(a,x,y))
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}
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}
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nbits = (int) (average_prec/(point_num*chbrclf_mo_num*5));
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nbits = (int) (average_prec/(point_num*chbrclf_mo_num*5));
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printf("Average precision for %d: %d\n", qmckl_get_numprec_precision(context), nbits);
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printf("Average precision for %d: %d\n", qmckl_get_numprec_precision(context), nbits);
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assert(nbits > 11);
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fflush(stdout);
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fflush(stdout);
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rc = qmckl_set_numprec_precision(context,53);
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rc = qmckl_set_numprec_precision(context,53);
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return -1;
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/* Check selection of MOs */
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/* Check selection of MOs */
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