diff --git a/src/GRANULAR/fix_wall_gran_region.cpp b/src/GRANULAR/fix_wall_gran_region.cpp index e9e27b90e6f5b9dce359f7aadae89282a4727352..a09b9dfa421b971df17992722ccc55c1308b1454 100644 --- a/src/GRANULAR/fix_wall_gran_region.cpp +++ b/src/GRANULAR/fix_wall_gran_region.cpp @@ -131,9 +131,8 @@ void FixWallGranRegion::init() void FixWallGranRegion::post_force(int vflag) { int i,m,nc,iwall; - double rinv,fx,fy,fz,tooclose; double dx,dy,dz,rsq,meff; - double xc[3],vwall[3]; + double vwall[3]; // do not update shear history during setup diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index 780df25bdf7ab95c3dd74c069012165fd52da4f2..a7483a1d00c1b4a6483e22f7a8501121f1c5a31a 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -72,7 +72,7 @@ FixGCMC::FixGCMC(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg), idregion(NULL), full_flag(0), ngroups(0), groupstrings(NULL), ngrouptypes(0), grouptypestrings(NULL), grouptypebits(NULL), grouptypes(NULL), local_gas_list(NULL), atom_coord(NULL), random_equal(NULL), random_unequal(NULL), - coords(NULL), imageflags(NULL), idrigid(NULL), idshake(NULL), fixrigid(NULL), fixshake(NULL) + coords(NULL), imageflags(NULL), fixrigid(NULL), fixshake(NULL), idrigid(NULL), idshake(NULL) { if (narg < 11) error->all(FLERR,"Illegal fix gcmc command"); diff --git a/src/MOLECULE/fix_cmap.cpp b/src/MOLECULE/fix_cmap.cpp index 8534a8bf33f1473c8a9303fe93e10a9024f27192..551e049238dfea0f101ec7ad414e3695183d683b 100644 --- a/src/MOLECULE/fix_cmap.cpp +++ b/src/MOLECULE/fix_cmap.cpp @@ -964,22 +964,22 @@ void FixCMAP::bc_coeff(double *gs, double *d1gs, double *d2gs, double *d12gs) // calculate the bicubic interpolation coefficients c_ij static int wt[16][16] = - { 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, - 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, - -3, 0, 0, 3, 0, 0, 0, 0,-2, 0, 0,-1, 0, 0, 0, 0, - 2, 0, 0,-2, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0, - 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, - 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, - 0, 0, 0, 0,-3, 0, 0, 3, 0, 0, 0, 0,-2, 0, 0,-1, - 0, 0, 0, 0, 2, 0, 0,-2, 0, 0, 0, 0, 1, 0, 0, 1, - -3, 3, 0, 0,-2,-1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, - 0, 0, 0, 0, 0, 0, 0, 0,-3, 3, 0, 0,-2,-1, 0, 0, - 9,-9, 9,-9, 6, 3,-3,-6, 6,-6,-3, 3, 4, 2, 1, 2, - -6, 6,-6, 6,-4,-2, 2, 4,-3, 3, 3,-3,-2,-1,-1,-2, - 2,-2, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, - 0, 0, 0, 0, 0, 0, 0, 0, 2,-2, 0, 0, 1, 1, 0, 0, - -6, 6,-6, 6,-3,-3, 3, 3,-4, 4, 2,-2,-2,-2,-1,-1, - 4,-4, 4,-4, 2, 2,-2,-2, 2,-2,-2, 2, 1, 1, 1, 1 + { {1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0}, + {0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0}, + {-3, 0, 0, 3, 0, 0, 0, 0,-2, 0, 0,-1, 0, 0, 0, 0}, + {2, 0, 0,-2, 0, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0}, + {0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0}, + {0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0}, + {0, 0, 0, 0,-3, 0, 0, 3, 0, 0, 0, 0,-2, 0, 0,-1}, + {0, 0, 0, 0, 2, 0, 0,-2, 0, 0, 0, 0, 1, 0, 0, 1}, + {-3, 3, 0, 0,-2,-1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0}, + {0, 0, 0, 0, 0, 0, 0, 0,-3, 3, 0, 0,-2,-1, 0, 0}, + {9,-9, 9,-9, 6, 3,-3,-6, 6,-6,-3, 3, 4, 2, 1, 2}, + {-6, 6,-6, 6,-4,-2, 2, 4,-3, 3, 3,-3,-2,-1,-1,-2}, + {2,-2, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0}, + {0, 0, 0, 0, 0, 0, 0, 0, 2,-2, 0, 0, 1, 1, 0, 0}, + {-6, 6,-6, 6,-3,-3, 3, 3,-4, 4, 2,-2,-2,-2,-1,-1}, + {4,-4, 4,-4, 2, 2,-2,-2, 2,-2,-2, 2, 1, 1, 1, 1} }; int i, j, k, in; diff --git a/src/OPT/pair_eam_opt.cpp b/src/OPT/pair_eam_opt.cpp index e970f90ae825a6ce803928b02deab5679f12eac4..3afec5644a70bb12497163d8fd8174202f2d11b1 100644 --- a/src/OPT/pair_eam_opt.cpp +++ b/src/OPT/pair_eam_opt.cpp @@ -67,11 +67,6 @@ void PairEAMOpt::eval() double rhor0j,rhor1j,rhor2j,rhor3j; } fast_alpha_t; - typedef struct { - double frho0,frho1,frho2,frho3,frho4,frho5,frho6; - double _pad[1]; - } fast_beta_t; - typedef struct { double rhor4i,rhor5i,rhor6i; double rhor4j,rhor5j,rhor6j; diff --git a/src/QEQ/fix_qeq_dynamic.cpp b/src/QEQ/fix_qeq_dynamic.cpp index 8e8247e121b4dad2a6cfa0f7867f0bf6bec40674..5408db650b0dfb0a051e18733f761190392034bf 100644 --- a/src/QEQ/fix_qeq_dynamic.cpp +++ b/src/QEQ/fix_qeq_dynamic.cpp @@ -249,7 +249,7 @@ double FixQEqDynamic::compute_eneg() int FixQEqDynamic::pack_forward_comm(int n, int *list, double *buf, int pbc_flag, int *pbc) { - int m; + int m=0; if( pack_flag == 1 ) for(m = 0; m < n; m++) buf[m] = atom->q[list[m]]; diff --git a/src/USER-DPD/fix_rx.cpp b/src/USER-DPD/fix_rx.cpp index 94c03705d62f2f9ced97b03c0c79569f5fc70534..82bb44a24d12386f486fad077afaeced81f09761 100644 --- a/src/USER-DPD/fix_rx.cpp +++ b/src/USER-DPD/fix_rx.cpp @@ -666,7 +666,6 @@ void FixRX::setup_pre_force(int vflag) int *mask = atom->mask; int newton_pair = force->newton_pair; double tmp; - int ii; if(restartFlag){ restartFlag = 0; diff --git a/src/USER-DPD/npair_half_bin_newton_ssa.cpp b/src/USER-DPD/npair_half_bin_newton_ssa.cpp index fd67b66e9b89a2ce3ca086e54fecec93c6d12480..59acbda301403c5e36e513b03a2df7e4608e90c2 100644 --- a/src/USER-DPD/npair_half_bin_newton_ssa.cpp +++ b/src/USER-DPD/npair_half_bin_newton_ssa.cpp @@ -64,7 +64,6 @@ void NPairHalfBinNewtonSSA::build(NeighList *list) tagint **special = atom->special; int **nspecial = atom->nspecial; int nlocal = atom->nlocal; - int nall = nlocal + atom->nghost; if (includegroup) nlocal = atom->nfirst; int *ssaAIR = atom->ssaAIR; diff --git a/src/USER-DRUDE/pair_lj_cut_thole_long.cpp b/src/USER-DRUDE/pair_lj_cut_thole_long.cpp index 726baae2400c077075159c2b95cc666cf70124c3..671de7090b3f9ba3e79cadcd98cb43576c3d7cd0 100644 --- a/src/USER-DRUDE/pair_lj_cut_thole_long.cpp +++ b/src/USER-DRUDE/pair_lj_cut_thole_long.cpp @@ -640,10 +640,12 @@ double PairLJCutTholeLong::single(int i, int j, int itype, int jtype, if (j != di_closest){ if (drudetype[i] == CORE_TYPE) dqi = -atom->q[di]; else if (drudetype[i] == DRUDE_TYPE) dqi = atom->q[i]; + else dqi = 0.0; if (drudetype[j] == CORE_TYPE) { dj = atom->map(drudeid[j]); dqj = -atom->q[dj]; } else if (drudetype[j] == DRUDE_TYPE) dqj = atom->q[j]; + else dqj = 0.0; asr = ascreen[itype][jtype] * r; exp_asr = exp(-asr); dcoul = force->qqrd2e * dqi * dqj / r; diff --git a/src/USER-NC-DUMP/dump_nc.cpp b/src/USER-NC-DUMP/dump_nc.cpp index 825526dde98228a8c1b1500f3e4b17a51b997e98..7a66eb022429da91a6491051ac79d42973cd181c 100644 --- a/src/USER-NC-DUMP/dump_nc.cpp +++ b/src/USER-NC-DUMP/dump_nc.cpp @@ -283,9 +283,6 @@ void DumpNC::openfile() // Fixme! Perform checks if dimensions and variables conform with // data structure standard. - size_t index[NC_MAX_VAR_DIMS], count[NC_MAX_VAR_DIMS]; - double d[1]; - if (singlefile_opened) return; singlefile_opened = 1; @@ -924,7 +921,7 @@ int DumpNC::modify_param(int narg, char **arg) for (int i = 0; iarg < narg; iarg++, i++) { int n; - char *suffix; + char *suffix=NULL; if (!strcmp(arg[iarg],"step")) { perframe[i].type = THIS_IS_A_BIGINT; diff --git a/src/USER-OMP/fix_nh_asphere_omp.cpp b/src/USER-OMP/fix_nh_asphere_omp.cpp index d90e907d0e66e28409d3d1ae439210b78bf8c35a..f11b1f5e94946b96cd24fd6d8972ec71d5568561 100644 --- a/src/USER-OMP/fix_nh_asphere_omp.cpp +++ b/src/USER-OMP/fix_nh_asphere_omp.cpp @@ -183,7 +183,6 @@ void FixNHAsphereOMP::nh_v_temp() #pragma omp parallel for default(none) private(i) schedule(static) #endif for (i = 0; i < nlocal; i++) { - double buf[3]; if (mask[i] & groupbit) { temperature->remove_bias(i,&v[i].x); v[i].x *= factor_eta; diff --git a/src/USER-OMP/fix_nh_omp.cpp b/src/USER-OMP/fix_nh_omp.cpp index 591503d01e11c9315bc2b2c00c85151430aadf36..e77f18304dfdb99ae9fcfa4af60264ec92d55b02 100644 --- a/src/USER-OMP/fix_nh_omp.cpp +++ b/src/USER-OMP/fix_nh_omp.cpp @@ -261,7 +261,6 @@ void FixNHOMP::nh_v_press() #pragma omp parallel for default(none) private(i) schedule(static) #endif for (i = 0; i < nlocal; i++) { - double buf[3]; if (mask[i] & groupbit) { temperature->remove_bias(i,&v[i].x); v[i].x *= factor0; @@ -374,7 +373,6 @@ void FixNHOMP::nh_v_temp() #pragma omp parallel for default(none) private(i) schedule(static) #endif for (i = 0; i < nlocal; i++) { - double buf[3]; if (mask[i] & groupbit) { temperature->remove_bias(i,&v[i].x); v[i].x *= factor_eta; diff --git a/src/USER-OMP/fix_nh_sphere_omp.cpp b/src/USER-OMP/fix_nh_sphere_omp.cpp index 5e7890a5133a394e4019b644647f08ca7ce26025..cd06c581ca86f2db34b0afcf08f8ff75450f45a7 100644 --- a/src/USER-OMP/fix_nh_sphere_omp.cpp +++ b/src/USER-OMP/fix_nh_sphere_omp.cpp @@ -137,7 +137,6 @@ void FixNHSphereOMP::nh_v_temp() #pragma omp parallel for default(none) private(i) schedule(static) #endif for (i = 0; i < nlocal; i++) { - double buf[3]; if (mask[i] & groupbit) { temperature->remove_bias(i,&v[i].x); v[i].x *= factor_eta; diff --git a/src/USER-OMP/fix_nvt_sllod_omp.cpp b/src/USER-OMP/fix_nvt_sllod_omp.cpp index bd704148a5505724c728acf30bd60ea9a01e3540..f233dc459be52d1637ac34ac8abd29c702d88acf 100644 --- a/src/USER-OMP/fix_nvt_sllod_omp.cpp +++ b/src/USER-OMP/fix_nvt_sllod_omp.cpp @@ -121,7 +121,7 @@ void FixNVTSllodOMP::nh_v_temp() #pragma omp parallel for default(none) private(i) shared(h_two) schedule(static) #endif for (i = 0; i < nlocal; i++) { - double vdelu0,vdelu1,vdelu2,buf[3]; + double vdelu0,vdelu1,vdelu2; if (mask[i] & groupbit) { vdelu0 = h_two[0]*v[i].x + h_two[5]*v[i].y + h_two[4]*v[i].z; vdelu1 = h_two[1]*v[i].y + h_two[3]*v[i].z; diff --git a/src/USER-OMP/pair_airebo_omp.cpp b/src/USER-OMP/pair_airebo_omp.cpp index fb1308990fd7c574175c0bd84a9eb5395c5fdab6..84821f1c8c24eb17d13b0506de3649887be2ad08 100644 --- a/src/USER-OMP/pair_airebo_omp.cpp +++ b/src/USER-OMP/pair_airebo_omp.cpp @@ -1852,9 +1852,7 @@ double PairAIREBOOMP::bondorderLJ_thr(int i, int j, double rij[3], double rijmag double rikmag,rjlmag,cosjik,cosijl,g,tmp2,tmp3; double Etmp,pij,tmp,wij,dwij,NconjtmpI,NconjtmpJ; double Nki,Nlj,dS,lamdajik,lamdaijl,dgdc,dgdN,pji,Nijconj,piRC; - double dcosjikdri[3],dcosijldri[3],dcosjikdrk[3]; - double dN2[2],dN3[3]; - double dcosijldrj[3],dcosijldrl[3],dcosjikdrj[3],dwjl; + double dN2[2],dN3[3],dwjl; double Tij,crosskij[3],crosskijmag; double crossijl[3],crossijlmag,omkijl; double tmppij,tmppji,dN2PIJ[2],dN2PJI[2],dN3piRC[3],dN3Tij[3]; @@ -1864,16 +1862,16 @@ double PairAIREBOOMP::bondorderLJ_thr(int i, int j, double rij[3], double rijmag double rlnmag,dwln,r23[3],r23mag,r21[3],r21mag; double w21,dw21,r34[3],r34mag,cos234,w34,dw34; double cross321[3],cross234[3],prefactor,SpN; - double fcijpc,fcikpc,fcjlpc,fcjkpc,fcilpc; - double dt2dik[3],dt2djl[3],dt2dij[3],aa,aaa1,aaa2,at2,cw,cwnum,cwnom; + double fcikpc,fcjlpc,fcjkpc,fcilpc; + double dt2dik[3],dt2djl[3],aa,aaa1,aaa2,at2,cw,cwnum,cwnom; double sin321,sin234,rr,rijrik,rijrjl,rjk2,rik2,ril2,rjl2; - double dctik,dctjk,dctjl,dctij,dctji,dctil,rik2i,rjl2i,sink2i,sinl2i; - double rjk[3],ril[3],dt1dik,dt1djk,dt1djl,dt1dil,dt1dij; + double dctik,dctjk,dctjl,dctil,rik2i,rjl2i,sink2i,sinl2i; + double rjk[3],ril[3],dt1dik,dt1djk,dt1djl,dt1dil; double dNlj; double PijS,PjiS; double rij2,tspjik,dtsjik,tspijl,dtsijl,costmp; int *REBO_neighs,*REBO_neighs_i,*REBO_neighs_j,*REBO_neighs_k,*REBO_neighs_l; - double F12[3],F23[3],F34[3],F31[3],F24[3]; + double F12[3],F34[3],F31[3],F24[3]; double fi[3],fj[3],fk[3],fl[3],f1[3],f2[3],f3[3],f4[4]; double rji[3],rki[3],rlj[3],r13[3],r43[3]; double realrij[3], realrijmag; diff --git a/src/USER-SMTBQ/pair_smtbq.cpp b/src/USER-SMTBQ/pair_smtbq.cpp index 5e24ced35cafb72a3db2fbfb41469d645d079c4a..937b9e511736e6e4bbadc7f8d66f251383daa2d0 100644 --- a/src/USER-SMTBQ/pair_smtbq.cpp +++ b/src/USER-SMTBQ/pair_smtbq.cpp @@ -3561,7 +3561,7 @@ int PairSMTBQ::Tokenize( char* s, char*** tok ) void PairSMTBQ::CheckEnergyVSForce() { - double drL,iq,jq,rsq,evdwlCoul,fpairCoul,eflag,ErepR,frepR,fpair,evdwl; + double drL,iq,jq,rsq,evdwlCoul,fpairCoul,eflag=0,ErepR,frepR,fpair,evdwl; int i,j,iiiMax,iii,iCoord; int itype,jtype,l,m; double r,t1,t2,sds,xi,engSurf,fforceSurf; diff --git a/src/comm_tiled.cpp b/src/comm_tiled.cpp index 2bdcd0503025dd357babee42e713fa5024206d62..23b098a705a26bb477ab7199688d2375e2034699 100644 --- a/src/comm_tiled.cpp +++ b/src/comm_tiled.cpp @@ -1449,7 +1449,7 @@ void CommTiled::box_drop_brick(int idim, double *lo, double *hi, int &indexme) // NOTE: these error messages are internal sanity checks // should not occur, can be removed at some point - int index,dir; + int index=-1,dir; if (hi[idim] == sublo[idim]) { index = myloc[idim] - 1; dir = -1; diff --git a/src/compute_property_local.cpp b/src/compute_property_local.cpp index 7814b6cb6bb05e598a10e71a1f255f95c846f382..90faa88921271c6e8810617f306fa28954fa9107 100644 --- a/src/compute_property_local.cpp +++ b/src/compute_property_local.cpp @@ -35,7 +35,7 @@ enum{TYPE,RADIUS}; ComputePropertyLocal::ComputePropertyLocal(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg), - indices(NULL), pack_choice(NULL), vlocal(NULL), alocal(NULL) + vlocal(NULL), alocal(NULL), indices(NULL), pack_choice(NULL) { if (narg < 4) error->all(FLERR,"Illegal compute property/local command"); diff --git a/src/neighbor.cpp b/src/neighbor.cpp index 8da6c1b9d25452ffe5659bdc0c6aa54d2cf1573c..4cd99b41d7a3c6f24a3a39b0bf20edbc211e3cc3 100644 --- a/src/neighbor.cpp +++ b/src/neighbor.cpp @@ -954,7 +954,7 @@ void Neighbor::morph_skip() int i,j,inewton,jnewton; NeighRequest *irq,*jrq,*nrq; - for (int i = 0; i < nrequest; i++) { + for (i = 0; i < nrequest; i++) { irq = requests[i]; // only processing skip lists @@ -1053,7 +1053,7 @@ void Neighbor::morph_skip() void Neighbor::morph_granular() { int i,j; - NeighRequest *irq,*jrq,*nrq; + NeighRequest *irq,*jrq; for (i = 0; i < nrequest; i++) { irq = requests[i];