From 79ab63a33cf13c42bcfc2cfb44c1c92d7add018d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 12 Dec 2022 09:45:29 -0500
Subject: [PATCH] a few more IWYU updates

---
 src/AMOEBA/fix_amoeba_bitorsion.h | 2 +-
 src/ML-IAP/mliap_model.h          | 2 +-
 src/ML-IAP/mliap_model_python.cpp | 1 -
 src/OPENMP/fix_omp.cpp            | 1 -
 src/compute_com_chunk.h           | 5 +++--
 src/compute_dipole_chunk.h        | 5 +++--
 src/text_file_reader.h            | 1 +
 7 files changed, 9 insertions(+), 8 deletions(-)

diff --git a/src/AMOEBA/fix_amoeba_bitorsion.h b/src/AMOEBA/fix_amoeba_bitorsion.h
index eac5eca260..c936fe987d 100644
--- a/src/AMOEBA/fix_amoeba_bitorsion.h
+++ b/src/AMOEBA/fix_amoeba_bitorsion.h
@@ -119,7 +119,7 @@ class FixAmoebaBiTorsion : public Fix {
   void chkttor(int, int, int, double &, double &, double &);
   void bcuint1(double *, double *, double *, double *, double, double, double, double, double,
                double, double &, double &, double &);
-  void bcucof(double *, double *, double *, double *, double, double, double[][4]);
+  void bcucof(double *, double *, double *, double *, double, double, double[4][4]);
 };
 }    // namespace LAMMPS_NS
 #endif
diff --git a/src/ML-IAP/mliap_model.h b/src/ML-IAP/mliap_model.h
index f2a6f4a998..0f7a8e8e4f 100644
--- a/src/ML-IAP/mliap_model.h
+++ b/src/ML-IAP/mliap_model.h
@@ -14,7 +14,7 @@
 #ifndef LMP_MLIAP_MODEL_H
 #define LMP_MLIAP_MODEL_H
 
-#include "pointers.h"
+#include "pointers.h"    // IWYU pragma: export
 
 namespace LAMMPS_NS {
 
diff --git a/src/ML-IAP/mliap_model_python.cpp b/src/ML-IAP/mliap_model_python.cpp
index e1859d8e1d..5bd6b45c92 100644
--- a/src/ML-IAP/mliap_model_python.cpp
+++ b/src/ML-IAP/mliap_model_python.cpp
@@ -26,7 +26,6 @@
 #include "mliap_model_python_couple.h"
 #include "pair_mliap.h"
 #include "python_compat.h"
-#include "utils.h"
 
 #include <Python.h>
 
diff --git a/src/OPENMP/fix_omp.cpp b/src/OPENMP/fix_omp.cpp
index 411b16441b..3a249bad82 100644
--- a/src/OPENMP/fix_omp.cpp
+++ b/src/OPENMP/fix_omp.cpp
@@ -25,7 +25,6 @@
 #include "error.h"
 #include "force.h"
 #include "neighbor.h"
-#include "neigh_request.h"
 #include "universe.h"
 #include "update.h"
 
diff --git a/src/compute_com_chunk.h b/src/compute_com_chunk.h
index bd7c8f6fe0..c617e181fe 100644
--- a/src/compute_com_chunk.h
+++ b/src/compute_com_chunk.h
@@ -23,6 +23,7 @@ ComputeStyle(com/chunk,ComputeCOMChunk);
 #include "compute.h"
 
 namespace LAMMPS_NS {
+class Fix;
 
 class ComputeCOMChunk : public Compute {
  public:
@@ -38,8 +39,8 @@ class ComputeCOMChunk : public Compute {
   void lock_enable() override;
   void lock_disable() override;
   int lock_length() override;
-  void lock(class Fix *, bigint, bigint) override;
-  void unlock(class Fix *) override;
+  void lock(Fix *, bigint, bigint) override;
+  void unlock(Fix *) override;
 
   double memory_usage() override;
 
diff --git a/src/compute_dipole_chunk.h b/src/compute_dipole_chunk.h
index df2a75712e..42198fe478 100644
--- a/src/compute_dipole_chunk.h
+++ b/src/compute_dipole_chunk.h
@@ -23,6 +23,7 @@ ComputeStyle(dipole/chunk,ComputeDipoleChunk);
 #include "compute.h"
 
 namespace LAMMPS_NS {
+class Fix;
 
 class ComputeDipoleChunk : public Compute {
  public:
@@ -34,8 +35,8 @@ class ComputeDipoleChunk : public Compute {
   void lock_enable() override;
   void lock_disable() override;
   int lock_length() override;
-  void lock(class Fix *, bigint, bigint) override;
-  void unlock(class Fix *) override;
+  void lock(Fix *, bigint, bigint) override;
+  void unlock(Fix *) override;
 
   double memory_usage() override;
 
diff --git a/src/text_file_reader.h b/src/text_file_reader.h
index 78d8802c1d..cc62471f66 100644
--- a/src/text_file_reader.h
+++ b/src/text_file_reader.h
@@ -22,6 +22,7 @@
 
 #include <cstdio>
 #include <exception>
+#include <string>
 
 namespace LAMMPS_NS {
 class TextFileReader {