Commit e1ac4758 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Use explicit force and torque cs names for TRAPPING output files

parent 3c1c88cb

src/trapping/clffft.cpp

+14 −15
Original line number Original line Diff line number Diff line
@@ -121,7 +121,6 @@ void lffft(string data_file, string output_path) { 
    if (is >= 2222) { // label 120

    if (is >= 2222) { // label 120

      tms = new dcomplex*[le];

      tms = new dcomplex*[le];

      for (int ti = 0; ti < le; ti++) tms[ti] = new dcomplex[3]();

      for (int ti = 0; ti < le; ti++) tms[ti] = new dcomplex[3]();

      // QUESTION|WARNING: original code uses LM without defining it. Where does it come from?

      int lm = le;

      int lm = le;

      for (int i = 0; i < lm; i++) {

      for (int i = 0; i < lm; i++) {

	double vreal, vimag;

	double vreal, vimag;
@@ -323,10 +322,10 @@ void lffft(string data_file, string output_path) { 
	  if (lm > le) wsl = new dcomplex[nlmmt]();

	  if (lm > le) wsl = new dcomplex[nlmmt]();

	  // FORTRAN writes two output formatted files without opening them

	  // FORTRAN writes two output formatted files without opening them

	  // explicitly. It is assumed thay can be opened here.

	  // explicitly. It is assumed thay can be opened here.

	  string out66_name = output_path + "/c_out66.txt";

	  string force_cs_name = output_path + "/c_force_cs.txt";

	  string out67_name = output_path + "/c_out67.txt";

	  string torque_cs_name = output_path + "/c_torque_cs.txt";

	  FILE *output66 = fopen(out66_name.c_str(), "w");

	  FILE *output_frc = fopen(force_cs_name.c_str(), "w");

	  FILE *output67 = fopen(out67_name.c_str(), "w");

	  FILE *output_trq = fopen(torque_cs_name.c_str(), "w");

	  for (int iz475 = 0; iz475 < nzv; iz475++) {

	  for (int iz475 = 0; iz475 < nzv; iz475++) {

	    for (int iy475 = 0; iy475 < nyv; iy475++) {

	    for (int iy475 = 0; iy475 < nyv; iy475++) {

	      for (int ix475 = 0; ix475 < nxv; ix475++) {

	      for (int ix475 = 0; ix475 < nxv; ix475++) {
@@ -383,15 +382,15 @@ void lffft(string data_file, string output_path) { 
		  if (jss == 1) {

		  if (jss == 1) {

		    // Writes to 66

		    // Writes to 66

		    fprintf(

		    fprintf(

			    output66, " %18.16lE%18.16lE%18.16lE\n",

			    output_frc, " %18.16lE%18.16lE%18.16lE\n",

			    fffe[0], fffs[0], fffe[0] - fffs[0]

			    fffe[0], fffs[0], fffe[0] - fffs[0]

			    );

			    );

		    fprintf(

		    fprintf(

			    output66, " %18.16lE%18.16lE%18.16lE\n",

			    output_frc, " %18.16lE%18.16lE%18.16lE\n",

			    fffe[1], fffs[1], fffe[1] - fffs[1]

			    fffe[1], fffs[1], fffe[1] - fffs[1]

			    );

			    );

		    fprintf(

		    fprintf(

			    output66, " %18.16lE%18.16lE%18.16lE\n",

			    output_frc, " %18.16lE%18.16lE%18.16lE\n",

			    fffe[2], fffs[2], fffe[2] - fffs[2]

			    fffe[2], fffs[2], fffe[2] - fffs[2]

			    );

			    );

		  } else { // label 450

		  } else { // label 450
@@ -402,7 +401,7 @@ void lffft(string data_file, string output_path) { 
		    if (jtw == 1) {

		    if (jtw == 1) {

		      // Writes to 66

		      // Writes to 66

		      fprintf(

		      fprintf(

			      output66, " %5d%4d%4d%15.4lE%15.4lE%15.4lE\n",

			      output_frc, " %5d%4d%4d%15.4lE%15.4lE%15.4lE\n",

			      ix475 + 1, iy475 + 1, iz475 + 1,

			      ix475 + 1, iy475 + 1, iz475 + 1,

			      fffe[0] - fffs[0], fffe[1] - fffs[1], fffe[2] - fffs[2]

			      fffe[0] - fffs[0], fffe[1] - fffs[1], fffe[2] - fffs[2]

			      );

			      );
@@ -420,15 +419,15 @@ void lffft(string data_file, string output_path) { 
		  if (jss == 1) {

		  if (jss == 1) {

		    // Writes to 67

		    // Writes to 67

		    fprintf(

		    fprintf(

			    output67, " %18.16lE%18.16lE%18.16lE\n",

			    output_trq, " %18.16lE%18.16lE%18.16lE\n",

			    ffte[0], ffts[0], ffte[0] - ffts[0]

			    ffte[0], ffts[0], ffte[0] - ffts[0]

			    );

			    );

		    fprintf(

		    fprintf(

			    output67, " %18.16lE%18.16lE%18.16lE\n",

			    output_trq, " %18.16lE%18.16lE%18.16lE\n",

			    ffte[1], ffts[1], ffte[1] - ffts[1]

			    ffte[1], ffts[1], ffte[1] - ffts[1]

			    );

			    );

		    fprintf(

		    fprintf(

			    output67, " %18.16lE%18.16lE%18.16lE\n",

			    output_trq, " %18.16lE%18.16lE%18.16lE\n",

			    ffte[2], ffts[2], ffte[2] - ffts[2]

			    ffte[2], ffts[2], ffte[2] - ffts[2]

			    );

			    );

		  } else { // label 470

		  } else { // label 470
@@ -439,7 +438,7 @@ void lffft(string data_file, string output_path) { 
		    if (jtw == 1) {

		    if (jtw == 1) {

		      // Writes to 67

		      // Writes to 67

		      fprintf(

		      fprintf(

			      output67, " %5d%4d%4d%15.4lE%15.4lE%15.4lE\n",

			      output_trq, " %5d%4d%4d%15.4lE%15.4lE%15.4lE\n",

			      ix475 + 1, iy475 + 1, iz475 + 1,

			      ix475 + 1, iy475 + 1, iz475 + 1,

			      ffte[0] - ffts[0], ffte[1] - ffts[1], ffte[2] - ffts[2]

			      ffte[0] - ffts[0], ffte[1] - ffts[1], ffte[2] - ffts[2]

			      );

			      );
@@ -455,8 +454,8 @@ void lffft(string data_file, string output_path) { 
	    if (jft <= 0) tlfff.close();

	    if (jft <= 0) tlfff.close();

	    if (jft >= 0) tlfft.close();

	    if (jft >= 0) tlfft.close();

	  }

	  }

	  fclose(output66);

	  fclose(output_frc);

	  fclose(output67);

	  fclose(output_trq);

	}

	}

      }

      }

      delete tfrfme;

      delete tfrfme;