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This commit is contained in:
Anthony Scemama 2023-09-26 17:34:57 +02:00
parent 89a4a57c32
commit 0ddaf0cd29
2 changed files with 3 additions and 3 deletions
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4
org/qmckl_examples.org
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@ -460,8 +460,8 @@ int main(int argc, char** argv)
gettimeofday(&timecheck, NULL); gettimeofday(&timecheck, NULL);
after = (long)timecheck.tv_sec * 1000 + (long)timecheck.tv_usec / 1000; after = (long)timecheck.tv_sec * 1000 + (long)timecheck.tv_usec / 1000;
printf("Number of MOs: %ld\n", mo_num); printf("Number of MOs: %ld\n", (long) mo_num);
printf("Number of grid points: %ld\n", point_num); printf("Number of grid points: %ld\n", (long) point_num);
printf("Execution time : %f seconds\n", (after - before)*1.e-3); printf("Execution time : %f seconds\n", (after - before)*1.e-3);
#+end_src #+end_src

2
org/qmckl_mo.org
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@ -3043,7 +3043,7 @@ printf("\n");
assert (rc == QMCKL_SUCCESS); assert (rc == QMCKL_SUCCESS);
rc = qmckl_get_mo_basis_mo_num(context, &mo_num); rc = qmckl_get_mo_basis_mo_num(context, &mo_num);
printf(" mo_num: %ld\n", mo_num); printf(" mo_num: %ld\n", (long) mo_num);
assert(mo_num == 2); assert(mo_num == 2);
double mo_coefficient_new[mo_num][ao_num]; double mo_coefficient_new[mo_num][ao_num];