From aa22988d54ac1c463666e9be2d1ed363891dcee9 Mon Sep 17 00:00:00 2001
From: anjohan <ajohans@sandia.gov>
Date: Mon, 21 Oct 2024 17:02:57 -0600
Subject: [PATCH] include renames

---
 compute_allegro.cpp     | 2 +-
 compute_allegro.h       | 1 -
 pair_allegro_kokkos.h   | 2 +-
 pair_nequip_allegro.cpp | 3 +--
 pair_nequip_allegro.h   | 4 ++--
 5 files changed, 5 insertions(+), 7 deletions(-)

diff --git a/compute_allegro.cpp b/compute_allegro.cpp
index 69fd9ea..2418070 100644
--- a/compute_allegro.cpp
+++ b/compute_allegro.cpp
@@ -21,7 +21,7 @@
 #include "error.h"
 #include "force.h"
 #include "memory.h"
-#include "pair_allegro.h"
+#include "pair_nequip_allegro.h"
 #include "update.h"
 
 #include <cassert>
diff --git a/compute_allegro.h b/compute_allegro.h
index da497fa..b91d10c 100644
--- a/compute_allegro.h
+++ b/compute_allegro.h
@@ -22,7 +22,6 @@ ComputeStyle(allegro/atom,ComputeAllegro<1>)
 #define LMP_COMPUTE_ALLEGRO_H
 
 #include "compute.h"
-#include "pair_allegro.h"
 
 #include <string>
 
diff --git a/pair_allegro_kokkos.h b/pair_allegro_kokkos.h
index 5b18182..73e1857 100644
--- a/pair_allegro_kokkos.h
+++ b/pair_allegro_kokkos.h
@@ -20,7 +20,7 @@ PairStyle(allegro/kk,PairAllegroKokkos<0>)
 #ifndef LMP_PAIR_ALLEGRO_KOKKOS_H
 #define LMP_PAIR_ALLEGRO_KOKKOS_H
 
-#include "pair_allegro.h"
+#include "pair_nequip_allegro.h"
 #include <pair_kokkos.h>
 
 
diff --git a/pair_nequip_allegro.cpp b/pair_nequip_allegro.cpp
index 99c3d25..f982855 100644
--- a/pair_nequip_allegro.cpp
+++ b/pair_nequip_allegro.cpp
@@ -28,7 +28,7 @@
 #include "potential_file_reader.h"
 #include "tokenizer.h"
 #include "update.h"
-#include <pair_allegro.h>
+#include <pair_nequip_allegro.h>
 
 #include <algorithm>
 #include <cassert>
@@ -43,7 +43,6 @@
 #include <torch/torch.h>
 #include <vector>
 
-// TODO: Only if MPI is available
 #include <mpi.h>
 
 // Freezing is broken from C++ in <=1.10; so we've dropped support.
diff --git a/pair_nequip_allegro.h b/pair_nequip_allegro.h
index d34e090..d6e3686 100644
--- a/pair_nequip_allegro.h
+++ b/pair_nequip_allegro.h
@@ -19,8 +19,8 @@ PairStyle(allegro,PairNequIPAllegro<0>)
 
 #else
 
-#ifndef LMP_PAIR_ALLEGRO_H
-#define LMP_PAIR_ALLEGRO_H
+#ifndef LMP_PAIR_NEQUIP_ALLEGRO_H
+#define LMP_PAIR_NEQUIP_ALLEGRO_H
 
 #include "pair.h"