From 922c52c36a206dcc3bc6478f89c6270ca47e2ad7 Mon Sep 17 00:00:00 2001 From: v1j4y Date: Mon, 27 Sep 2021 18:41:01 +0200 Subject: [PATCH] Compiles locally. #32 --- org/qmckl_mo.org | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/org/qmckl_mo.org b/org/qmckl_mo.org index 2914c62..4c8be42 100644 --- a/org/qmckl_mo.org +++ b/org/qmckl_mo.org @@ -790,8 +790,8 @@ assert (rc == QMCKL_SUCCESS); assert(qmckl_mo_basis_provided(context)); -//double mo_vgl[5][walk_num][elec_num][chbrclf_ao_num]; -//rc = qmckl_get_mo_basis_vgl(context, &(mo_vgl[0][0][0][0])); +double mo_vgl[5][walk_num][elec_num][chbrclf_ao_num]; +rc = qmckl_get_mo_basis_vgl(context, &(mo_vgl[0][0][0][0])); //assert (rc == QMCKL_SUCCESS);