From 6f92429602d6946ca754f44046e0cf6375dcd66e Mon Sep 17 00:00:00 2001
From: Stan Moore <stanmoore1@gmail.com>
Date: Thu, 2 Feb 2017 13:34:27 -0700
Subject: [PATCH] Fixing per-atom ev issue

---
 src/KOKKOS/angle_charmm_kokkos.cpp      | 8 ++++----
 src/KOKKOS/bond_harmonic_kokkos.cpp     | 8 ++++----
 src/KOKKOS/dihedral_charmm_kokkos.cpp   | 8 ++++----
 src/KOKKOS/improper_harmonic_kokkos.cpp | 8 ++++----
 4 files changed, 16 insertions(+), 16 deletions(-)

diff --git a/src/KOKKOS/angle_charmm_kokkos.cpp b/src/KOKKOS/angle_charmm_kokkos.cpp
index dcd5d91e05..b4e2d47f36 100644
--- a/src/KOKKOS/angle_charmm_kokkos.cpp
+++ b/src/KOKKOS/angle_charmm_kokkos.cpp
@@ -70,18 +70,18 @@ void AngleCharmmKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   // reallocate per-atom arrays if necessary
 
   if (eflag_atom) {
-    if(k_eatom.dimension_0()<maxeatom) {
+    //if(k_eatom.dimension_0()<maxeatom) { // won't work without adding zero functor
       memory->destroy_kokkos(k_eatom,eatom);
       memory->create_kokkos(k_eatom,eatom,maxeatom,"improper:eatom");
       d_eatom = k_eatom.d_view;
-    }
+    //}
   }
   if (vflag_atom) {
-    if(k_vatom.dimension_0()<maxvatom) {
+    //if(k_vatom.dimension_0()<maxvatom) { // won't work without adding zero functor
       memory->destroy_kokkos(k_vatom,vatom);
       memory->create_kokkos(k_vatom,vatom,maxvatom,6,"improper:vatom");
       d_vatom = k_vatom.d_view;
-    }
+    //}
   }
 
   x = atomKK->k_x.view<DeviceType>();
diff --git a/src/KOKKOS/bond_harmonic_kokkos.cpp b/src/KOKKOS/bond_harmonic_kokkos.cpp
index 9b34786ec0..d07923901f 100644
--- a/src/KOKKOS/bond_harmonic_kokkos.cpp
+++ b/src/KOKKOS/bond_harmonic_kokkos.cpp
@@ -67,18 +67,18 @@ void BondHarmonicKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   // reallocate per-atom arrays if necessary
 
   if (eflag_atom) {
-    if(k_eatom.dimension_0()<maxeatom) {
+    //if(k_eatom.dimension_0()<maxeatom) { // won't work without adding zero functor
       memory->destroy_kokkos(k_eatom,eatom);
       memory->create_kokkos(k_eatom,eatom,maxeatom,"improper:eatom");
       d_eatom = k_eatom.d_view;
-    }
+    //}
   }
   if (vflag_atom) {
-    if(k_vatom.dimension_0()<maxvatom) {
+    //if(k_vatom.dimension_0()<maxvatom) { // won't work without adding zero functor
       memory->destroy_kokkos(k_vatom,vatom);
       memory->create_kokkos(k_vatom,vatom,maxvatom,6,"improper:vatom");
       d_vatom = k_vatom.d_view;
-    }
+    //}
   }
 
 //  if (eflag || vflag) atomKK->modified(execution_space,datamask_modify);
diff --git a/src/KOKKOS/dihedral_charmm_kokkos.cpp b/src/KOKKOS/dihedral_charmm_kokkos.cpp
index b0dd1a2172..e623b70857 100644
--- a/src/KOKKOS/dihedral_charmm_kokkos.cpp
+++ b/src/KOKKOS/dihedral_charmm_kokkos.cpp
@@ -80,22 +80,22 @@ void DihedralCharmmKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   // reallocate per-atom arrays if necessary
 
   if (eflag_atom) {
-    if(k_eatom.dimension_0()<maxeatom) {
+    //if(k_eatom.dimension_0()<maxeatom) { // won't work without adding zero functor
       memory->destroy_kokkos(k_eatom,eatom);
       memory->create_kokkos(k_eatom,eatom,maxeatom,"dihedral:eatom");
       d_eatom = k_eatom.d_view;
       k_eatom_pair = Kokkos::DualView<E_FLOAT*,Kokkos::LayoutRight,DeviceType>("dihedral:eatom_pair",maxeatom);
       d_eatom_pair = k_eatom.d_view;
-    }
+    //}
   }
   if (vflag_atom) {
-    if(k_vatom.dimension_0()<maxvatom) {
+    //if(k_vatom.dimension_0()<maxvatom) { // won't work without adding zero functor
       memory->destroy_kokkos(k_vatom,vatom);
       memory->create_kokkos(k_vatom,vatom,maxvatom,6,"dihedral:vatom");
       d_vatom = k_vatom.d_view;
       k_vatom_pair = Kokkos::DualView<F_FLOAT*[6],Kokkos::LayoutRight,DeviceType>("dihedral:vatom_pair",maxvatom);
       d_vatom_pair = k_vatom.d_view;
-    }
+    //}
   }
 
   x = atomKK->k_x.view<DeviceType>();
diff --git a/src/KOKKOS/improper_harmonic_kokkos.cpp b/src/KOKKOS/improper_harmonic_kokkos.cpp
index 34d3d437d6..0bf729cdfd 100644
--- a/src/KOKKOS/improper_harmonic_kokkos.cpp
+++ b/src/KOKKOS/improper_harmonic_kokkos.cpp
@@ -77,18 +77,18 @@ void ImproperHarmonicKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   // reallocate per-atom arrays if necessary
 
   if (eflag_atom) {
-    if(k_eatom.dimension_0()<maxeatom) {
+    //if(k_eatom.dimension_0()<maxeatom) { // won't work without adding zero functor
       memory->destroy_kokkos(k_eatom,eatom);
       memory->create_kokkos(k_eatom,eatom,maxeatom,"improper:eatom");
       d_eatom = k_eatom.d_view;
-    }
+    //}
   }
   if (vflag_atom) {
-    if(k_vatom.dimension_0()<maxvatom) {
+    //if(k_vatom.dimension_0()<maxvatom) { // won't work without adding zero functor
       memory->destroy_kokkos(k_vatom,vatom);
       memory->create_kokkos(k_vatom,vatom,maxvatom,6,"improper:vatom");
       d_vatom = k_vatom.d_view;
-    }
+    //}
   }
 
   //atomKK->sync(execution_space,datamask_read);