silence compiler warnings
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@ -79,7 +79,7 @@ size_t ZstdFileWriter::write(const void * buffer, size_t length)
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do {
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ZSTD_outBuffer output = { out_buffer, out_buffer_size, 0 };
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size_t const remaining = ZSTD_compressStream2(cctx, &output, &input, mode);
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ZSTD_compressStream2(cctx, &output, &input, mode);
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fwrite(out_buffer, sizeof(char), output.pos, fp);
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} while(input.pos < input.size);
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@ -62,7 +62,7 @@ void AngleGaussian::compute(int eflag, int vflag)
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int i1,i2,i3,n,type;
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double delx1,dely1,delz1,delx2,dely2,delz2;
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double eangle,f1[3],f3[3];
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double dtheta,tk;
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double dtheta;
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double rsq1,rsq2,r1,r2,c,s,a,a11,a12,a22;
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double prefactor, exponent, g_i, sum_g_i, sum_numerator;
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@ -331,7 +331,6 @@ double AngleGaussian::single(int type, int i1, int i2, int i3)
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double theta = acos(c) ;
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double sum_g_i = 0.0;
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double sum_numerator = 0.0;
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for (int i = 0; i < nterms[type]; i++) {
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double dtheta = theta - theta0[type][i];
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double prefactor = (alpha[type][i]/(width[type][i]*sqrt(MY_PI2)));
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@ -62,9 +62,9 @@ static const char cite_fix_electron_stopping_fit_c[] =
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// ---------------------------------------------------------------------
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FixElectronStoppingFit::FixElectronStoppingFit(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp,narg,arg), energy_coh_in(nullptr), drag_fac_in_1(nullptr),
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drag_fac_in_2(nullptr), drag_fac_1(nullptr), drag_fac_2(nullptr),
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v_min_sq(nullptr), v_max_sq(nullptr)
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Fix(lmp,narg,arg), energy_coh_in(nullptr), v_min_sq(nullptr), v_max_sq(nullptr),
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drag_fac_in_1(nullptr), drag_fac_in_2(nullptr),
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drag_fac_1(nullptr), drag_fac_2(nullptr)
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{
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if (lmp->citeme) lmp->citeme->add(cite_fix_electron_stopping_fit_c);
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@ -151,7 +151,7 @@ void FixElectronStoppingFit::setup(int vflag)
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// ---------------------------------------------------------------------
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void FixElectronStoppingFit::post_force(int vflag)
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void FixElectronStoppingFit::post_force(int /*vflag*/)
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{
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double **v = atom->v;
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double **f = atom->f;
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@ -192,7 +192,7 @@ void FixElectronStoppingFit::post_force(int vflag)
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// ---------------------------------------------------------------------
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void FixElectronStoppingFit::post_force_respa(int vflag, int ilevel, int iloop)
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void FixElectronStoppingFit::post_force_respa(int vflag, int ilevel, int /*iloop*/)
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{
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if (ilevel == nlevels_respa-1) post_force(vflag);
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};
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@ -76,7 +76,7 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
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// Check API version
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int api_version;
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int api_version=0;
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p->cmd("getApiVersion",&api_version);
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if ((api_version < 5) || (api_version > 7))
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error->all(FLERR,"Incompatible API version for PLUMED in fix plumed. "
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@ -761,15 +761,15 @@ void FixBondReact::post_constructor()
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void FixBondReact::init()
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{
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if (strstr(update->integrate_style,"respa"))
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if (utils::strmatch(update->integrate_style,"^respa"))
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nlevels_respa = ((Respa *) update->integrate)->nlevels;
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// check cutoff for iatomtype,jatomtype
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for (int i = 0; i < nreacts; i++) {
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if (closeneigh[i] == -1) // indicates will search for non-bonded bonding atoms
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if (force->pair == nullptr || cutsq[i][1] > force->pair->cutsq[iatomtype[i]][jatomtype[i]])
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error->all(FLERR,"Bond/react: Fix bond/react cutoff is longer than pairwise cutoff");
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}
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// check cutoff for iatomtype,jatomtype
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for (int i = 0; i < nreacts; i++) {
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if (closeneigh[i] == -1) // indicates will search for non-bonded bonding atoms
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if (force->pair == nullptr || cutsq[i][1] > force->pair->cutsq[iatomtype[i]][jatomtype[i]])
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error->all(FLERR,"Bond/react: Fix bond/react cutoff is longer than pairwise cutoff");
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}
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// need a half neighbor list, built every Nevery steps
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int irequest = neighbor->request(this,instance_me);
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@ -1068,10 +1068,11 @@ void FixBondReact::far_partner()
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continue;
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}
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if (molecule_keyword[rxnID] == INTER)
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if (molecule_keyword[rxnID] == INTER) {
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if (atom->molecule[i] == atom->molecule[j]) continue;
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else if (molecule_keyword[rxnID] == INTRA)
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} else if (molecule_keyword[rxnID] == INTRA) {
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if (atom->molecule[i] != atom->molecule[j]) continue;
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}
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jtype = type[j];
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possible = 0;
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@ -1152,10 +1153,11 @@ void FixBondReact::close_partner()
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if (i_limit_tags[i2] != 0) continue;
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if (itype != iatomtype[rxnID] || jtype != jatomtype[rxnID]) continue;
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if (molecule_keyword[rxnID] == INTER)
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if (molecule_keyword[rxnID] == INTER) {
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if (atom->molecule[i1] == atom->molecule[i2]) continue;
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else if (molecule_keyword[rxnID] == INTRA)
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} else if (molecule_keyword[rxnID] == INTRA) {
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if (atom->molecule[i1] != atom->molecule[i2]) continue;
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}
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delx = x[i1][0] - x[i2][0];
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dely = x[i1][1] - x[i2][1];
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