remove dead code

src/USER-OMP/pair_comb_omp.cpp

@@ -88,7 +88,7 @@ void PairCombOMP::eval(int iifrom, int iito, ThrData * const thr)
   int i,j,k,ii,jj,kk,jnum,iparam_i;
   tagint itag,jtag;
   int itype,jtype,ktype,iparam_ij,iparam_ijk;
-  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,ecoul,fpair;
+  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair;
   double rsq,rsq1,rsq2;
   double delr1[3],delr2[3],fi[3],fj[3],fk[3];
   double zeta_ij,prefactor;
@@ -102,7 +102,7 @@ void PairCombOMP::eval(int iifrom, int iito, ThrData * const thr)
   double vionij,fvionij,sr1,sr2,sr3,Eov,Fov;
   int sht_jnum, *sht_jlist, nj;
 
-  evdwl = ecoul = 0.0;
+  evdwl = 0.0;
 
   const double * const * const x = atom->x;
   double * const * const f = thr->get_f();
@@ -419,7 +419,7 @@ double PairCombOMP::yasu_char(double *qf_fix, int &igroup)
 #pragma omp parallel for private(ii) LMP_DEFAULT_NONE LMP_SHARED(potal,fac11e)
 #endif
   for (ii = 0; ii < inum; ii ++) {
-    double fqi,fqj,fqij,fqji,fqjj,delr1[3];
+    double fqi,fqij,fqji,fqjj,delr1[3];
     double sr1,sr2,sr3;
     int mr1,mr2,mr3;
 
@@ -428,7 +428,7 @@ double PairCombOMP::yasu_char(double *qf_fix, int &igroup)
     int nj = 0;
 
     if (mask[i] & groupbit) {
-      fqi = fqj = fqij = fqji = fqjj = 0.0; // should not be needed.
+      fqi = fqij = fqji = fqjj = 0.0; // should not be needed.
       int itype = map[type[i]];
       const double xtmp = x[i][0];
       const double ytmp = x[i][1];

unittest/commands/test_reset_ids.cpp

@@ -482,8 +482,6 @@ TEST_F(ResetIDsTest, TopologyData)
 
     auto num_bond     = lmp->atom->num_bond;
     auto num_angle    = lmp->atom->num_angle;
-    auto num_dihedral = lmp->atom->num_dihedral;
-    auto num_improper = lmp->atom->num_improper;
     auto bond_atom    = lmp->atom->bond_atom;
     auto angle_atom1  = lmp->atom->angle_atom1;
     auto angle_atom2  = lmp->atom->angle_atom2;
@@ -568,8 +566,6 @@ TEST_F(ResetIDsTest, TopologyData)
 
     num_bond     = lmp->atom->num_bond;
     num_angle    = lmp->atom->num_angle;
-    num_dihedral = lmp->atom->num_dihedral;
-    num_improper = lmp->atom->num_improper;
     bond_atom    = lmp->atom->bond_atom;
     angle_atom1  = lmp->atom->angle_atom1;
     angle_atom2  = lmp->atom->angle_atom2;

unittest/force-styles/test_angle_style.cpp

@@ -308,7 +308,6 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
     // init_forces
     block.clear();
     auto f   = lmp->atom->f;
-    auto tag = lmp->atom->tag;
     for (int i = 1; i <= natoms; ++i) {
         const int j = lmp->atom->map(i);
         block += fmt::format("{:3} {:23.16e} {:23.16e} {:23.16e}\n", i, f[j][0], f[j][1], f[j][2]);
@@ -329,7 +328,6 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
 
     block.clear();
     f   = lmp->atom->f;
-    tag = lmp->atom->tag;
     for (int i = 1; i <= natoms; ++i) {
         const int j = lmp->atom->map(i);
         block += fmt::format("{:3} {:23.16e} {:23.16e} {:23.16e}\n", i, f[j][0], f[j][1], f[j][2]);

unittest/force-styles/test_bond_style.cpp

@@ -308,7 +308,6 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
     // init_forces
     block.clear();
     auto f   = lmp->atom->f;
-    auto tag = lmp->atom->tag;
     for (int i = 1; i <= natoms; ++i) {
         const int j = lmp->atom->map(i);
         block += fmt::format("{:3} {:23.16e} {:23.16e} {:23.16e}\n", i, f[j][0], f[j][1], f[j][2]);
@@ -329,7 +328,6 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
 
     block.clear();
     f   = lmp->atom->f;
-    tag = lmp->atom->tag;
     for (int i = 1; i <= natoms; ++i) {
         const int j = lmp->atom->map(i);
         block += fmt::format("{:3} {:23.16e} {:23.16e} {:23.16e}\n", i, f[j][0], f[j][1], f[j][2]);

unittest/force-styles/test_dihedral_style.cpp

@@ -311,7 +311,6 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
     // init_forces
     block.clear();
     auto f   = lmp->atom->f;
-    auto tag = lmp->atom->tag;
     for (int i = 1; i <= natoms; ++i) {
         const int j = lmp->atom->map(i);
         block += fmt::format("{:3} {:23.16e} {:23.16e} {:23.16e}\n", i, f[j][0], f[j][1], f[j][2]);
@@ -332,7 +331,6 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
 
     block.clear();
     f   = lmp->atom->f;
-    tag = lmp->atom->tag;
     for (int i = 1; i <= natoms; ++i) {
         const int j = lmp->atom->map(i);
         block += fmt::format("{:3} {:23.16e} {:23.16e} {:23.16e}\n", i, f[j][0], f[j][1], f[j][2]);

unittest/force-styles/test_improper_style.cpp

@@ -302,7 +302,6 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
     // init_forces
     block.clear();
     auto f   = lmp->atom->f;
-    auto tag = lmp->atom->tag;
     for (int i = 1; i <= natoms; ++i) {
         const int j = lmp->atom->map(i);
         block += fmt::format("{:3} {:23.16e} {:23.16e} {:23.16e}\n", i, f[j][0], f[j][1], f[j][2]);
@@ -323,7 +322,6 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
 
     block.clear();
     f   = lmp->atom->f;
-    tag = lmp->atom->tag;
     for (int i = 1; i <= natoms; ++i) {
         const int j = lmp->atom->map(i);
         block += fmt::format("{:3} {:23.16e} {:23.16e} {:23.16e}\n", i, f[j][0], f[j][1], f[j][2]);

unittest/force-styles/test_pair_style.cpp

@@ -308,7 +308,6 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
     // init_forces
     block.clear();
     auto f   = lmp->atom->f;
-    auto tag = lmp->atom->tag;
     for (int i = 1; i <= natoms; ++i) {
         const int j = lmp->atom->map(i);
         block += fmt::format("{:3} {:23.16e} {:23.16e} {:23.16e}\n", i, f[j][0], f[j][1], f[j][2]);
@@ -332,7 +331,6 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
 
     block.clear();
     f   = lmp->atom->f;
-    tag = lmp->atom->tag;
     for (int i = 1; i <= natoms; ++i) {
         const int j = lmp->atom->map(i);
         block += fmt::format("{:3} {:23.16e} {:23.16e} {:23.16e}\n", i, f[j][0], f[j][1], f[j][2]);