From ce75691eaed0c71c5eb8d258c534dd97d96297a5 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 17 Jun 2023 00:35:05 -0400
Subject: [PATCH] address issues flagged by coverity scan

---
 src/DPD-REACT/fix_eos_table_rx.cpp          | 10 ++++------
 src/DPD-REACT/fix_rx.cpp                    | 15 +++++----------
 src/YAFF/pair_lj_switch3_coulgauss_long.cpp |  2 --
 3 files changed, 9 insertions(+), 18 deletions(-)

diff --git a/src/DPD-REACT/fix_eos_table_rx.cpp b/src/DPD-REACT/fix_eos_table_rx.cpp
index 2687a11658..f7afddc64f 100644
--- a/src/DPD-REACT/fix_eos_table_rx.cpp
+++ b/src/DPD-REACT/fix_eos_table_rx.cpp
@@ -476,16 +476,14 @@ void FixEOStableRX::read_table(Table *tb, Table *tb2, char *file, char *keyword)
     utils::sfgets(FLERR,line,MAXLINE,fp,file,error);
 
     nwords = utils::count_words(utils::trim_comment(line));
-    if (nwords != nspecies+2) {
-      printf("nwords=%d  nspecies=%d\n",nwords,nspecies);
-      error->all(FLERR,"Illegal fix eos/table/rx command");
-    }
-    nwords = 0;
+    if (nwords != nspecies+2)
+      error->all(FLERR,"Illegal fix eos/table/rx command: nwords={} nspecies={}", nwords, nspecies);
+
     word = strtok(line," \t\n\r\f");
     word = strtok(nullptr," \t\n\r\f");
     rtmp = atof(word);
 
-    for (int icolumn=0;icolumn<ncolumn;icolumn++) {
+    for (int icolumn=0; icolumn < ncolumn; icolumn++) {
       ispecies = eosSpecies[icolumn];
 
       Table *tbl = &tables[ispecies];
diff --git a/src/DPD-REACT/fix_rx.cpp b/src/DPD-REACT/fix_rx.cpp
index 96eb9d4572..cce88cf465 100644
--- a/src/DPD-REACT/fix_rx.cpp
+++ b/src/DPD-REACT/fix_rx.cpp
@@ -249,7 +249,7 @@ void FixRX::post_constructor()
 
   // Assign species names to tmpspecies array and determine the number of unique species
 
-  int n,nwords;
+  int n;
   char line[MAXLINE],*ptr;
   int eof = 0;
   char * word;
@@ -270,12 +270,10 @@ void FixRX::post_constructor()
     // strip comment, skip line if blank
 
     if ((ptr = strchr(line,'#'))) *ptr = '\0';
-    nwords = utils::count_words(line);
-    if (nwords == 0) continue;
+    if (utils::count_words(line) == 0) continue;
 
     // words = ptrs to all words in line
 
-    nwords = 0;
     word = strtok(line," \t\n\r\f");
     while (word != nullptr) {
       word = strtok(nullptr, " \t\n\r\f");
@@ -785,7 +783,7 @@ void FixRX::read_file(char *file)
 
   // Count the number of reactions from kinetics file
 
-  int n,nwords,ispecies;
+  int n,ispecies;
   char line[MAXLINE],*ptr;
   int eof = 0;
 
@@ -805,8 +803,7 @@ void FixRX::read_file(char *file)
     // strip comment, skip line if blank
 
     if ((ptr = strchr(line,'#'))) *ptr = '\0';
-    nwords = utils::count_words(line);
-    if (nwords == 0) continue;
+    if (utils::count_words(line) == 0) continue;
 
     nreactions++;
   }
@@ -859,12 +856,10 @@ void FixRX::read_file(char *file)
     // strip comment, skip line if blank
 
     if ((ptr = strchr(line,'#'))) *ptr = '\0';
-    nwords = utils::count_words(line);
-    if (nwords == 0) continue;
+    if (utils::count_words(line) == 0) continue;
 
     // words = ptrs to all words in line
 
-    nwords = 0;
     word = strtok(line," \t\n\r\f");
     while (word != nullptr) {
       tmpStoich = atof(word);
diff --git a/src/YAFF/pair_lj_switch3_coulgauss_long.cpp b/src/YAFF/pair_lj_switch3_coulgauss_long.cpp
index 5266901318..dbbab7e5fe 100644
--- a/src/YAFF/pair_lj_switch3_coulgauss_long.cpp
+++ b/src/YAFF/pair_lj_switch3_coulgauss_long.cpp
@@ -165,7 +165,6 @@ void PairLJSwitch3CoulGaussLong::compute(int eflag, int vflag)
           // Correction for Gaussian radii
           if (lj2[itype][jtype]==0.0) {
             // This means a point charge is considered, so the correction is zero
-            expn2 = 0.0;
             erfc2 = 0.0;
             forcecoul2 = 0.0;
             prefactor2 = 0.0;
@@ -616,7 +615,6 @@ double PairLJSwitch3CoulGaussLong::single(int i, int j, int itype, int jtype,
     r6inv = r2inv*r2inv*r2inv;
     forcelj = r6inv*(12.0*lj3[itype][jtype]*r6inv-6.0*lj4[itype][jtype]);
     if (lj2[itype][jtype] == 0.0) {
-      expn2 = 0.0;
       erfc2 = 0.0;
       forcecoul2 = 0.0;
       prefactor2 = 0.0;