include renames

mir-group · Oct 21, 2024 · aa22988 · aa22988
1 parent 4e5e8f0
commit aa22988
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Showing 5 changed files with 5 additions and 7 deletions.
diff --git 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
@@ -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
@@ -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
@@ -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
@@ -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"