diff --git a/src/USER-OMP/pair_comb_omp.cpp b/src/USER-OMP/pair_comb_omp.cpp index ea8307eda7..cfde8ff905 100644 --- a/src/USER-OMP/pair_comb_omp.cpp +++ b/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]; diff --git a/unittest/commands/test_reset_ids.cpp b/unittest/commands/test_reset_ids.cpp index 71a68a0a00..3ea2f26cef 100644 --- a/unittest/commands/test_reset_ids.cpp +++ b/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; diff --git a/unittest/force-styles/test_angle_style.cpp b/unittest/force-styles/test_angle_style.cpp index 833aa69174..7f07052b3d 100644 --- a/unittest/force-styles/test_angle_style.cpp +++ b/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]); diff --git a/unittest/force-styles/test_bond_style.cpp b/unittest/force-styles/test_bond_style.cpp index 0d20a0bb62..a4956006f5 100644 --- a/unittest/force-styles/test_bond_style.cpp +++ b/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]); diff --git a/unittest/force-styles/test_dihedral_style.cpp b/unittest/force-styles/test_dihedral_style.cpp index e60968bb0a..6dd6a3f205 100644 --- a/unittest/force-styles/test_dihedral_style.cpp +++ b/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]); diff --git a/unittest/force-styles/test_improper_style.cpp b/unittest/force-styles/test_improper_style.cpp index 858db0fb65..1b97f38faf 100644 --- a/unittest/force-styles/test_improper_style.cpp +++ b/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]); diff --git a/unittest/force-styles/test_pair_style.cpp b/unittest/force-styles/test_pair_style.cpp index c5d1c1b42a..fd8d306538 100644 --- a/unittest/force-styles/test_pair_style.cpp +++ b/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]);