apply clang-tidy fixes
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@ -200,8 +200,6 @@ DynMat::DynMat(int narg, char **arg)
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// ask for the interpolation method
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interpolate->set_method();
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return;
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}
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@ -222,8 +220,6 @@ DynMat::~DynMat()
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memory->destroy(DM_all);
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memory->destroy(M_inv_sqrt);
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delete memory;
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return;
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}
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/* ----------------------------------------------------------------------------
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@ -234,10 +230,10 @@ void DynMat::writeDMq(double *q)
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FILE *fp;
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// only ask for file name for the first time
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// other calls will append the result to the file.
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if (dmfile == NULL){
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if (dmfile == nullptr){
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char str[MAXLINE], *ptr;
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printf("\n");
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while ( 1 ){
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while ( true ){
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printf("Please input the filename to output the DM at selected q: ");
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input->read_stdin(str);
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ptr = strtok(str, " \r\t\n\f");
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@ -260,8 +256,6 @@ void DynMat::writeDMq(double *q)
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}
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fprintf(fp,"\n");
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fclose(fp);
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return;
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}
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/* ----------------------------------------------------------------------------
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@ -275,7 +269,6 @@ void DynMat::writeDMq(double *q, const double qr, FILE *fp)
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for (int j = 0; j < fftdim; ++j) fprintf(fp,"%lg %lg\t", DM_q[i][j].r, DM_q[i][j].i);
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fprintf(fp,"\n");
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return;
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}
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/* ----------------------------------------------------------------------------
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@ -327,8 +320,6 @@ int DynMat::geteigen(double *egv, int flag)
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void DynMat::getDMq(double *q)
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{
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interpolate->execute(q, DM_q[0]);
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return;
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}
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/* ----------------------------------------------------------------------------
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@ -339,7 +330,6 @@ void DynMat::getDMq(double *q, double *wt)
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interpolate->execute(q, DM_q[0]);
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if (flag_skip && interpolate->UseGamma ) wt[0] = 0.;
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return;
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}
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/* ----------------------------------------------------------------------------
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@ -359,8 +349,7 @@ void DynMat::car2dir()
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basis[i][idim] = x[0]*mat[idim] + x[1]*mat[3+idim] + x[2]*mat[6+idim];
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}
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return;
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}
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}
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/* ----------------------------------------------------------------------------
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* private method to enforce the acoustic sum rule on force constant matrix at G
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@ -463,7 +452,6 @@ void DynMat::EnforceASR()
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}
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delete[] egvs;
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puts("\n================================================================================\n");
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return;
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}
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/* ----------------------------------------------------------------------------
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@ -501,7 +489,6 @@ void DynMat::real2rec()
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for (int j = 0; j < sysdim; ++j) printf("%8.4f ", ibasevec[i*3+j]);
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}
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puts("\n================================================================================");
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return;
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}
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/* ----------------------------------------------------------------------
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@ -590,8 +577,6 @@ void DynMat::GaussJordan(int n, double *Mat)
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delete []indxr;
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delete []indxc;
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delete []ipiv;
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return;
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}
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/* ----------------------------------------------------------------------------
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@ -600,8 +585,6 @@ void DynMat::GaussJordan(int n, double *Mat)
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void DynMat::reset_interp_method()
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{
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interpolate->set_method();
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return;
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}
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/* ----------------------------------------------------------------------------
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@ -644,8 +627,6 @@ void DynMat::ShowVersion()
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printf(" (__) (_) (_)(__)(__)(_)\\_)(__)(__)\n");
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printf("\nPHonon ANAlyzer for Fix-Phonon, version 2.%02d, compiled on %s.\n", VERSION, __DATE__);
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printf("Reference: https://doi.org/10.1016/j.cpc.2011.04.019\n");
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return;
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}
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/* ----------------------------------------------------------------------------
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@ -696,8 +677,7 @@ void DynMat::Define_Conversion_Factor()
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printf("sqrt(E/ML^2)/(2*pi) into THz, instead, I set it to 1; you should check the unit\nused by LAMMPS.\n");
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eml2f = eml2fc = 1.;
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}
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return;
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}
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}
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/* ----------------------------------------------------------------------------
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* Private method to output the information read
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@ -711,6 +691,5 @@ void DynMat::ShowInfo()
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printf("System dimension : %d\n", sysdim);
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printf("Boltzmann constant in used units : %g\n", boltz);
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puts("================================================================================");
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return;
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}
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/* --------------------------------------------------------------------*/
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