From a42bfb0e26e8391076719f36a425c5d41ca41a23 Mon Sep 17 00:00:00 2001
From: rohskopf <drew.rohskopf@gmail.com>
Date: Fri, 2 Jun 2023 17:26:40 -0600
Subject: [PATCH] Make cutoff factor 1 instead of 0 to prevent zero valued
 descriptors

---
 src/KOKKOS/sna_kokkos_impl.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/KOKKOS/sna_kokkos_impl.h b/src/KOKKOS/sna_kokkos_impl.h
index fd58f1c4f3..d5690ea60a 100644
--- a/src/KOKKOS/sna_kokkos_impl.h
+++ b/src/KOKKOS/sna_kokkos_impl.h
@@ -2298,7 +2298,7 @@ void SNAKokkos<DeviceType, real_type, vector_length>::compute_s_dsfac(const real
   constexpr real_type zero = static_cast<real_type>(0.0);
   constexpr real_type onehalf = static_cast<real_type>(0.5);
 
-  if (switch_flag == 0) { sfac_outer = zero; dsfac_outer = zero; }
+  if (switch_flag == 0) { sfac_outer = one; dsfac_outer = zero; }
   else if (switch_flag == 1) {
     if (r <= rmin0) { sfac_outer = one; dsfac_outer = zero; }
     else if (r > rcut) { sfac = zero; dsfac = zero; return; }