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include renames
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anjohan committed Oct 21, 2024
1 parent 4e5e8f0 commit aa22988
Showing 5 changed files with 5 additions and 7 deletions.
2 changes: 1 addition & 1 deletion compute_allegro.cpp
Original file line number Diff line number Diff line change
@@ -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>
1 change: 0 additions & 1 deletion compute_allegro.h
Original file line number Diff line number Diff line change
@@ -22,7 +22,6 @@ ComputeStyle(allegro/atom,ComputeAllegro<1>)
#define LMP_COMPUTE_ALLEGRO_H

#include "compute.h"
#include "pair_allegro.h"

#include <string>

2 changes: 1 addition & 1 deletion pair_allegro_kokkos.h
Original file line number Diff line number Diff line change
@@ -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>


3 changes: 1 addition & 2 deletions pair_nequip_allegro.cpp
Original file line number Diff line number Diff line change
@@ -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.
4 changes: 2 additions & 2 deletions pair_nequip_allegro.h
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@@ -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"

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