Changes in src/config.cpp [36166d:35b698]

File:

• src/config.cpp (modified) (7 diffs)

src/config.cpp

@@ -19 +19 @@
 #include "info.hpp"
 #include "lists.hpp"
-#include "verbose.hpp"
 #include "log.hpp"
 #include "molecule.hpp"
+#include "memoryallocator.hpp"
 #include "molecule.hpp"
 #include "periodentafel.hpp"
 #include "ThermoStatContainer.hpp"
 #include "World.hpp"
-#include "Matrix.hpp"
-#include "Box.hpp"
 
 /************************************* Functions for class config ***************************/
@@ -681 +679 @@
   // Unit cell and magnetic field
   ParseForParameter(verbose,FileBuffer, "BoxLength", 0, 3, 3, lower_trigrid, BoxLength, 1, critical); /* Lattice->RealBasis */
-  double * cell_size = new double[6];
+  double * const cell_size = World::getInstance().getDomain();
   cell_size[0] = BoxLength[0];
   cell_size[1] = BoxLength[3];
@@ -688 +686 @@
   cell_size[4] = BoxLength[7];
   cell_size[5] = BoxLength[8];
-  World::getInstance().setDomain(cell_size);
-  delete cell_size;
   //if (1) fprintf(stderr,"\n");
 
@@ -887 +883 @@
 
   ParseForParameter(verbose,file, "BoxLength", 0, 3, 3, lower_trigrid, BoxLength, 1, critical); /* Lattice->RealBasis */
-  double * cell_size = new double[6];
+  double * const cell_size = World::getInstance().getDomain();
   cell_size[0] = BoxLength[0];
   cell_size[1] = BoxLength[3];
@@ -894 +890 @@
   cell_size[4] = BoxLength[7];
   cell_size[5] = BoxLength[8];
-  World::getInstance().setDomain(cell_size);
-  delete[] cell_size;
   if (1) fprintf(stderr,"\n");
   config::DoPerturbation = 0;
@@ -1033 +1027 @@
   // bring MaxTypes up to date
   mol->CountElements();
-  const Matrix &domain = World::getInstance().getDomain().getM();
+  const double * const cell_size = World::getInstance().getDomain();
   ofstream * const output = new ofstream(filename, ios::out);
   if (output != NULL) {
@@ -1104 +1098 @@
     *output << endl;
     *output << "BoxLength\t\t\t# (Length of a unit cell)" << endl;
-    *output << domain.at(0,0) << "\t" << endl;
-    *output << domain.at(1,0) << "\t" << domain.at(1,1) << "\t" << endl;
-    *output << domain.at(2,0) << "\t" << domain.at(2,1) << "\t" << domain.at(2,2) << "\t" << endl;
+    *output << cell_size[0] << "\t" << endl;
+    *output << cell_size[1] << "\t" << cell_size[2] << "\t" << endl;
+    *output << cell_size[3] << "\t" << cell_size[4] << "\t" << cell_size[5] << "\t" << endl;
     // FIXME
     *output << endl;