From 1e8e91b61b5fe7b842c4877b1ba78402fe91db7c Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 14 Oct 2021 16:39:05 +0200 Subject: [PATCH] Minor changes in mo --- org/qmckl_mo.org | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/org/qmckl_mo.org b/org/qmckl_mo.org index c472a1a..7caaebc 100644 --- a/org/qmckl_mo.org +++ b/org/qmckl_mo.org @@ -136,7 +136,7 @@ qmckl_get_mo_basis_mo_num (const qmckl_context context, qmckl_context_struct* const ctx = (qmckl_context_struct* const) context; assert (ctx != NULL); - int32_t mask = 1 << 1; + int32_t mask = 1; if ( (ctx->mo_basis.uninitialized & mask) != 0) { return qmckl_failwith( context, @@ -175,7 +175,7 @@ qmckl_get_mo_basis_coefficient (const qmckl_context context, qmckl_context_struct* const ctx = (qmckl_context_struct* const) context; assert (ctx != NULL); - int32_t mask = 1 << 2; + int32_t mask = 1 << 1; if ( (ctx->ao_basis.uninitialized & mask) != 0) { return qmckl_failwith( context, @@ -271,7 +271,7 @@ qmckl_exit_code qmckl_set_mo_basis_mo_num(qmckl_context context, const int64_t m "mo_num <= 0"); } - int32_t mask = 1 << 1; + int32_t mask = 1 ; ctx->mo_basis.mo_num = mo_num; <> @@ -280,7 +280,7 @@ qmckl_exit_code qmckl_set_mo_basis_mo_num(qmckl_context context, const int64_t m qmckl_exit_code qmckl_set_mo_basis_coefficient(qmckl_context context, const double* coefficient) { <
>
 
-  int32_t mask = 1 << 2;
+  int32_t mask = 1 << 1;
 
   if (ctx->mo_basis.coefficient != NULL) {
     qmckl_exit_code rc = qmckl_free(context, ctx->mo_basis.coefficient);