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qmckl
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Fixed tests

This commit is contained in:
Anthony Scemama 2023-11-30 01:22:08 +01:00
parent dba15f6b84
commit 141a0a866e
1 changed files with 2 additions and 1 deletions
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org/qmckl_mo.org
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@ -3418,6 +3418,7 @@ print ( "[4][1][15][14] : %25.15e"% lf(a,x,y))
}
printf("Average precision for %d: %d\n", qmckl_get_numprec_precision(context),
(int) (average_prec/(point_num*chbrclf_mo_num)));
assert(nbits > 12);
fflush(stdout);
average_prec = 0;
@ -3443,9 +3444,9 @@ print ( "[4][1][15][14] : %25.15e"% lf(a,x,y))
}
nbits = (int) (average_prec/(point_num*chbrclf_mo_num*5));
printf("Average precision for %d: %d\n", qmckl_get_numprec_precision(context), nbits);
assert(nbits > 11);
fflush(stdout);
rc = qmckl_set_numprec_precision(context,53);
return -1;
/* Check selection of MOs */