From d8dea5e85553ddb1e075bc6889a94cc1fb4acaaf Mon Sep 17 00:00:00 2001 From: v1j4y Date: Mon, 4 Oct 2021 09:50:16 +0200 Subject: [PATCH] Fixed test. #32 --- org/qmckl_mo.org | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/org/qmckl_mo.org b/org/qmckl_mo.org index 79d031f..a884ed6 100644 --- a/org/qmckl_mo.org +++ b/org/qmckl_mo.org @@ -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; // } // } //}