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Fixed test. #32

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v1j4y 2021-10-04 09:50:16 +02:00
parent 0c0f8e53d0
commit d8dea5e855
1 changed files with 1 additions and 1 deletions
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org/qmckl_mo.org
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@ -815,7 +815,7 @@ assert (rc == QMCKL_SUCCESS);
// double mo_vgl[5][walk_num][elec_num][chbrclf_mo_num];
// rc = qmckl_get_mo_basis_vgl(context, &(mo_vgl[0][0][0][0]));
// assert (rc == QMCKL_SUCCESS);
// ovlmo1 += mo_vgl[0][0][0][0];
// ovlmo1 += mo_vgl[0][0][0][0]*mo_vgl[0][0][0][0]*dr3;
// }
// }
//}