From d584f2fe50ec520ea710bc97b492bc56065a31ef Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 15 May 2023 01:58:45 -0400
Subject: [PATCH] follow LAMMMPS' programming style more closely

---
 src/KIM/pair_kim.cpp | 42 ++++++++++++------------------------------
 1 file changed, 12 insertions(+), 30 deletions(-)

diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp
index daf31d79c7..58d7840cbb 100644
--- a/src/KIM/pair_kim.cpp
+++ b/src/KIM/pair_kim.cpp
@@ -251,43 +251,25 @@ void PairKIM::compute(int eflag, int vflag)
 
   // compute via KIM model
   int kimerror = KIM_Model_Compute(pkim, pargs);
-  if (kimerror) error->all(FLERR,"KIM Compute returned error {}", kimerror);
+  if (kimerror) error->all(FLERR, "KIM Compute returned error {}", kimerror);
 
   // scale results for fix adapt if needed
-  if (scale_extracted)
-  {
-    if (eflag_global != 0)
-    {
-      eng_vdwl *= scale;
-    }
-    for (int i = 0; i < nall; i++)
-    {        
-      if (eflag_atom != 0)
-      {
-        eatom[i] *= scale;
-      }
-      if (vflag_atom != 0)
-      {
-        for (int j = 0; j < 6; j++)
-        {
-          vatom[i][j] *= scale;
-        }
-      }
-      for (int j = 0; j < 3; j++)
-      {
-        atom->f[i][j] *= scale;
+  if (scale_extracted) {
+    if (eflag_global != 0) eng_vdwl *= scale;
+    for (int i = 0; i < nall; i++) {
+      if (eflag_atom != 0) eatom[i] *= scale;
+      if (vflag_atom != 0) {
+        for (int j = 0; j < 6; j++) vatom[i][j] *= scale;
       }
+      for (int j = 0; j < 3; j++) atom->f[i][j] *= scale;
     }
   }
 
   // compute virial before reverse comm!
-  if (vflag_global)
-    virial_fdotr_compute();
+  if (vflag_global) virial_fdotr_compute();
 
   // if newton is off, perform reverse comm
-  if (!lmps_using_newton) {
-    comm->reverse_comm(this);
-  }
+  if (!lmps_using_newton) comm->reverse_comm(this);
 
   if ((vflag_atom != 0) &&
       KIM_SupportStatus_NotEqual(kim_model_support_for_particleVirial,
@@ -1169,8 +1151,8 @@ std::string PairKIM::get_atom_type_list() { return atom_type_list; }
 
 void *PairKIM::extract(const char *str, int &dim)
 {
-  dim = 0;  
-  if (strcmp(str,"scale") == 0) 
+  dim = 0;
+  if (strcmp(str,"scale") == 0)
   {
     scale_extracted = true;
     return (void *) &scale;