From 303156848b87f82a2b925a77f202b54db55d8de0 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 15 Jan 2021 16:55:23 -0500
Subject: [PATCH] remove use of math_vector.h from /sphere integrator fixes

---
 src/USER-OMP/fix_nve_sphere_omp.cpp | 9 +++++----
 src/fix_nh_sphere.cpp               | 5 ++---
 src/fix_nve_sphere.cpp              | 6 ++----
 3 files changed, 9 insertions(+), 11 deletions(-)

diff --git a/src/USER-OMP/fix_nve_sphere_omp.cpp b/src/USER-OMP/fix_nve_sphere_omp.cpp
index 5e66d0f2c7..fce4355e7b 100644
--- a/src/USER-OMP/fix_nve_sphere_omp.cpp
+++ b/src/USER-OMP/fix_nve_sphere_omp.cpp
@@ -13,12 +13,13 @@
 
 #include "omp_compat.h"
 #include "fix_nve_sphere_omp.h"
-#include <cmath>
+
 #include "atom.h"
 #include "force.h"
-#include "math_vector.h"
 #include "math_extra.h"
 
+#include <cmath>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 using namespace MathExtra;
@@ -100,8 +101,8 @@ void FixNVESphereOMP::initial_integrate(int /* vflag */)
 #endif
       // Integrate orientation following Dullweber-Leimkuhler-Maclachlan scheme
       for (int i = 0; i < nlocal; i++) {
-        vector w, w_temp, a;
-        matrix Q, Q_temp, R;
+        double w[3], w_temp[3], a[3];
+        double Q[3][3], Q_temp[3][3], R[3][3];
 
         if (mask[i] & groupbit && mu[i][3] > 0.0) {
 
diff --git a/src/fix_nh_sphere.cpp b/src/fix_nh_sphere.cpp
index 4e7fb24039..ae1fab6cea 100644
--- a/src/fix_nh_sphere.cpp
+++ b/src/fix_nh_sphere.cpp
@@ -22,7 +22,6 @@
 #include "error.h"
 #include "force.h"
 #include "math_extra.h"
-#include "math_vector.h"
 
 #include <cmath>
 #include <cstring>
@@ -146,8 +145,8 @@ void FixNHSphere::nve_x()
           }
     } else {
       // Integrate orientation following Dullweber-Leimkuhler-Maclachlan scheme
-      vector w, w_temp, a;
-      matrix Q, Q_temp, R;
+      double w[3], w_temp[3], a[3];
+      double Q[3][3], Q_temp[3][3], R[3][3];
       double scale,s2,inv_len_mu;
 
       for (int i = 0; i < nlocal; i++) {
diff --git a/src/fix_nve_sphere.cpp b/src/fix_nve_sphere.cpp
index cad821176b..2760acea95 100644
--- a/src/fix_nve_sphere.cpp
+++ b/src/fix_nve_sphere.cpp
@@ -18,7 +18,6 @@
 #include "error.h"
 #include "force.h"
 #include "math_extra.h"
-#include "math_vector.h"
 
 #include <cmath>
 #include <cstring>
@@ -98,9 +97,8 @@ void FixNVESphere::init()
 void FixNVESphere::initial_integrate(int /*vflag*/)
 {
   double dtfm,dtirotate,msq,scale,s2,inv_len_mu;
-  double g[3];
-  vector w, w_temp, a;
-  matrix Q, Q_temp, R;
+  double g[3], w[3], w_temp[3], a[3];
+  double Q[3][3], Q_temp[3][3], R[3][3];
 
   double **x = atom->x;
   double **v = atom->v;