Changeset d067d45 for src/config.cpp

Timestamp:

Jul 23, 2009, 1:45:24 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, Candidate_v1.7.0, Candidate_v1.7.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

51c910

Parents:

ce5ac3 (diff), 437922 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

git-author:

Frederik Heber <heber@…> (07/23/09 12:34:47)

git-committer:

Frederik Heber <heber@…> (07/23/09 13:45:24)

Message:

Merge branch 'MultipleMolecules'

Conflicts:

molecuilder/src/analyzer.cpp
molecuilder/src/atom.cpp
molecuilder/src/boundary.cpp
molecuilder/src/boundary.hpp
molecuilder/src/builder.cpp
molecuilder/src/config.cpp
molecuilder/src/datacreator.hpp
molecuilder/src/helpers.cpp
molecuilder/src/joiner.cpp
molecuilder/src/moleculelist.cpp
molecuilder/src/molecules.cpp
molecuilder/src/molecules.hpp
molecuilder/src/parser.cpp
molecuilder/src/parser.hpp
molecuilder/src/vector.cpp
molecuilder/src/verbose.cpp

merges:

• analyzer.cpp: all from HEAD, Hessian stuff
• atom.cpp: ostream & operator << (ostream &ost, const atom &a), 2nd param is const
• boundary.cpp: DoSingleStepOutput, VRMLSUffix, HULLEPSILON, Get_center_of_sphere(), Find_next_suitable_point_via_Angle_of_Sphere() and all of tesselation stuff from MultipleMolecules; DoRaster3DOutput, ~BoundaryLineSet(), ~Tesselation() from HEAD; write_raster3d_file with some changes from MultipleMolecules
• boundary.hpp: all from MultipleMolecules
• builder.cpp: all in ParseCommandLineOptions() from MultipleMolecules
• config.cpp: all from HEAD, is stuff from ThermoStat and ConstrainedMD
• datacreator.hpp: all from HEAD, Hessian stuff
• helpers.cpp: all from HEAD, ReAlloc() differed just by indentation
• moleculelist.cpp: all from MultipleMolecules, has to do with introduced molecule centers
• molecules.cpp: all from HEAD, was ConstrainedMD stuff
• molecules.hpp: ConstrainedMD and VerletForceIntegration from HEAD, moleculelist stuff from MultipleMolecules
• parser.cpp: all from HEAD, ColumnCounter is *ColumnCounter there
• parser.hpp: all from HEAD
• vector.cpp: completely from MultipleMolecules (more lines)
• verbose.cpp: all from HEAD

compilation fixes:

• CheckPresenceOfTriangle() from MultipleMolecules
• MoleculeListClass::ListOfMolecules has changed to STL list, hence use insert(), ReturnIndex() and MoleculeListClass::OutputConfigForListOfFragments
• MoleculeListClass::OutputConfigForListOfFragments() had fragmentprefix instead of FRAGMENTPREFIX
• parser.hpp: EnergyMatrix::ParseIndices() declaration was missing

File:

• src/config.cpp (modified) (59 diffs)

src/config.cpp

@@ -1 +1 @@
 /** \file config.cpp
- * 
+ *
  * Function implementations for the class config.
- * 
+ *
  */
 
@@ -65 +65 @@
   UseAddGramSch=1;
   Seed=1;
+
   MaxOuterStep=0;
   Deltat=0.01;
@@ -73 +74 @@
   MaxPsiStep=0;
   EpsWannier=1e-7;
-  
+
   MaxMinStep=100;
   RelEpsTotalEnergy=1e-7;
@@ -84 +85 @@
   InitMaxMinStopStep=1;
   InitMaxMinGapStopStep=0;
-  
+
   //BoxLength[NDIM*NDIM];
-  
+
   ECut=128.;
   MaxLevel=5;
@@ -99 +100 @@
   PsiMaxNoDown=0;
   AddPsis=0;
-  
+
   RCut=20.;
   StructOpt=0;
@@ -199 +200 @@
  * for each entry of the config file structure.
  */
-void config::Edit(molecule *mol)
+void config::Edit()
 {
   char choice;
-  
+
   do {
     cout << Verbose(0) << "===========EDIT CONFIGURATION============================" << endl;
@@ -235 +236 @@
     cout << Verbose(0) << " g - Relative change in kinetic energy to stop min. iteration during initial level" << endl;
     cout << Verbose(0) << " h - Check stop conditions every ..th step during min. iteration during initial level" << endl;
-    cout << Verbose(0) << " j - six lower diagonal entries of matrix, defining the unit cell" << endl;
+//    cout << Verbose(0) << " j - six lower diagonal entries of matrix, defining the unit cell" << endl;
     cout << Verbose(0) << " k - Energy cutoff of plane wave basis in Hartree" << endl;
     cout << Verbose(0) << " l - Maximum number of levels in multi-level-ansatz" << endl;
@@ -255 +256 @@
     cout << Verbose(0) << "INPUT: ";
     cin >> choice;
-    
+
     switch (choice) {
         case 'A': // mainname
@@ -380 +381 @@
           cin >> config::InitMaxMinStopStep;
           break;
-        
-        case 'j': // BoxLength
-          cout << Verbose(0) << "enter lower triadiagonalo form of basis matrix" << endl << endl;
-          for (int i=0;i<6;i++) {
-            cout << Verbose(0) << "Cell size" << i << ": ";
-            cin >> mol->cell_size[i];
-          }
-          break;
-        
+
+//        case 'j': // BoxLength
+//          cout << Verbose(0) << "enter lower triadiagonalo form of basis matrix" << endl << endl;
+//          for (int i=0;i<6;i++) {
+//            cout << Verbose(0) << "Cell size" << i << ": ";
+//            cin >> mol->cell_size[i];
+//          }
+//          break;
+
         case 'k': // ECut
           cout << Verbose(0) << "Old: " << config::ECut << "\t new: ";
@@ -462 +463 @@
  * \param *periode pointer to a periodentafel class with all elements
  * \param *mol pointer to molecule containing all atoms of the molecule
- * \return 0 - old syntax, 1 - new syntax, -1 - unknown syntax 
+ * \return 0 - old syntax, 1 - new syntax, -1 - unknown syntax
  */
 int config::TestSyntax(char *filename, periodentafel *periode, molecule *mol)
@@ -468 +469 @@
   int test;
   ifstream file(filename);
-  
+
   // search file for keyword: ProcPEGamma (new syntax)
   if (ParseForParameter(1,&file,"ProcPEGamma", 0, 1, 1, int_type, &test, 1, optional)) {
@@ -539 +540 @@
  * \param *file input file stream being the opened config file
  * \param *periode pointer to a periodentafel class with all elements
- * \param *mol pointer to molecule containing all atoms of the molecule 
+ * \param *mol pointer to molecule containing all atoms of the molecule
  */
 void config::Load(char *filename, periodentafel *periode, molecule *mol)
@@ -550 +551 @@
   RetrieveConfigPathAndName(filename);
   // ParseParameters
-  
+
   /* Oeffne Hauptparameterdatei */
   int di;
@@ -595 +596 @@
     config::DoOutCurrent = 0;
   if (config::DoOutCurrent < 0) config::DoOutCurrent = 0;
-  if (config::DoOutCurrent > 1) config::DoOutCurrent = 1; 
+  if (config::DoOutCurrent > 1) config::DoOutCurrent = 1;
   ParseForParameter(verbose,file,"AddGramSch", 0, 1, 1, int_type, &(config::UseAddGramSch), 1, critical);
   if (config::UseAddGramSch < 0) config::UseAddGramSch = 0;
@@ -630 +631 @@
   if (!ParseForParameter(verbose,file,"EpsWannier", 0, 1, 1, double_type, &(config::EpsWannier), 1, optional))
     config::EpsWannier = 1e-8;
-  
+
   // stop conditions
   //if (config::MaxOuterStep <= 0) config::MaxOuterStep = 1;
   ParseForParameter(verbose,file,"MaxPsiStep", 0, 1, 1, int_type, &(config::MaxPsiStep), 1, critical);
   if (config::MaxPsiStep <= 0) config::MaxPsiStep = 3;
-  
+
   ParseForParameter(verbose,file,"MaxMinStep", 0, 1, 1, int_type, &(config::MaxMinStep), 1, critical);
   ParseForParameter(verbose,file,"RelEpsTotalE", 0, 1, 1, double_type, &(config::RelEpsTotalEnergy), 1, critical);
@@ -644 +645 @@
   if (config::MaxMinStopStep < 1) config::MaxMinStopStep = 1;
   if (config::MaxMinGapStopStep < 1) config::MaxMinGapStopStep = 1;
-  
+
   ParseForParameter(verbose,file,"MaxInitMinStep", 0, 1, 1, int_type, &(config::MaxInitMinStep), 1, critical);
   ParseForParameter(verbose,file,"InitRelEpsTotalE", 0, 1, 1, double_type, &(config::InitRelEpsTotalEnergy), 1, critical);
@@ -653 +654 @@
   if (config::InitMaxMinStopStep < 1) config::InitMaxMinStopStep = 1;
   if (config::InitMaxMinGapStopStep < 1) config::InitMaxMinGapStopStep = 1;
-  
+
   // Unit cell and magnetic field
   ParseForParameter(verbose,file, "BoxLength", 0, 3, 3, lower_trigrid, BoxLength, 1, critical); /* Lattice->RealBasis */
@@ -669 +670 @@
     config::DoFullCurrent = 0;
   if (config::DoFullCurrent < 0) config::DoFullCurrent = 0;
-  if (config::DoFullCurrent > 2) config::DoFullCurrent = 2; 
+  if (config::DoFullCurrent > 2) config::DoFullCurrent = 2;
   if (config::DoOutNICS < 0) config::DoOutNICS = 0;
-  if (config::DoOutNICS > 2) config::DoOutNICS = 2; 
+  if (config::DoOutNICS > 2) config::DoOutNICS = 2;
   if (config::DoPerturbation == 0) {
     config::DoFullCurrent = 0;
@@ -688 +689 @@
   } else {
     fprintf(stderr, "0 <= RiemanTensor < 2: 0 UseNotRT, 1 UseRT");
-    exit(1); 
+    exit(1);
   }
   switch (config::RiemannTensor) {
@@ -705 +706 @@
       if (config::RiemannLevel < 2) {
         config::RiemannLevel = 2;
-      } 
+      }
       if (config::RiemannLevel > config::MaxLevel-1) {
         config::RiemannLevel = config::MaxLevel-1;
@@ -712 +713 @@
       if (config::LevRFactor < 2) {
         config::LevRFactor = 2;
-      } 
+      }
       config::Lev0Factor = 2;
       config::RTActualUse = 2;
@@ -722 +723 @@
   } else {
     fprintf(stderr, "0 <= PsiType < 2: 0 UseSpinDouble, 1 UseSpinUpDown");
-    exit(1); 
+    exit(1);
   }
   switch (config::PsiType) {
@@ -736 +737 @@
     break;
   }
-  
+
   // IonsInitRead
-  
+
   ParseForParameter(verbose,file,"RCut", 0, 1, 1, double_type, &(config::RCut), 1, critical);
   ParseForParameter(verbose,file,"IsAngstroem", 0, 1, 1, int_type, &(config::IsAngstroem), 1, critical);
@@ -756 +757 @@
       ParseForParameter(verbose,file, name, 0, 2, 1, int_type, &Z, 1, critical);
       elementhash[i] = periode->FindElement(Z);
-      cout << Verbose(1) << i << ". Z = " << elementhash[i]->Z << " with " << No[i] << " ions." << endl; 
+      cout << Verbose(1) << i << ". Z = " << elementhash[i]->Z << " with " << No[i] << " ions." << endl;
     }
     int repetition = 0; // which repeated keyword shall be read
-  
+
     map<int, atom *> AtomList[config::MaxTypes];
     if (!FastParsing) {
@@ -778 +779 @@
             } else
               neues = AtomList[i][j];
-            status = (status && 
+            status = (status &&
                     ParseForParameter(verbose,file, keyword, 0, 1, 1, double_type, &neues->x.x[0], 1, (repetition == 0) ? critical : optional) &&
                     ParseForParameter(verbose,file, keyword, 0, 2, 1, double_type, &neues->x.x[1], 1, (repetition == 0) ? critical : optional) &&
@@ -784 +785 @@
                     ParseForParameter(verbose,file, keyword, 0, 4, 1, int_type, &neues->FixedIon, 1, (repetition == 0) ? critical : optional));
             if (!status) break;
-    
+
             // check size of vectors
             if (mol->Trajectories[neues].R.size() <= (unsigned int)(repetition)) {
@@ -792 +793 @@
               mol->Trajectories[neues].F.resize(repetition+10);
             }
-          
+
             // put into trajectories list
             for (int d=0;d<NDIM;d++)
               mol->Trajectories[neues].R.at(repetition).x[d] = neues->x.x[d];
-            
+
             // parse velocities if present
             if(!ParseForParameter(verbose,file, keyword, 0, 5, 1, double_type, &neues->v.x[0], 1,optional))
@@ -806 +807 @@
             for (int d=0;d<NDIM;d++)
               mol->Trajectories[neues].U.at(repetition).x[d] = neues->v.x[d];
-      
+
             // parse forces if present
             if(!ParseForParameter(verbose,file, keyword, 0, 8, 1, double_type, &value[0], 1,optional))
@@ -816 +817 @@
             for (int d=0;d<NDIM;d++)
               mol->Trajectories[neues].F.at(repetition).x[d] = value[d];
-  
-  //            cout << "Parsed position of step " << (repetition) << ": ("; 
+
+  //            cout << "Parsed position of step " << (repetition) << ": (";
   //            for (int d=0;d<NDIM;d++)
   //              cout << mol->Trajectories[neues].R.at(repetition).x[d] << " ";          // next step
@@ -873 +874 @@
  * \param *file input file stream being the opened config file with old pcp syntax
  * \param *periode pointer to a periodentafel class with all elements
- * \param *mol pointer to molecule containing all atoms of the molecule 
+ * \param *mol pointer to molecule containing all atoms of the molecule
  */
 void config::LoadOld(char *filename, periodentafel *periode, molecule *mol)
@@ -884 +885 @@
   RetrieveConfigPathAndName(filename);
   // ParseParameters
-  
+
   /* Oeffne Hauptparameterdatei */
   int l, i, di;
@@ -894 +895 @@
   int Z, No, AtomNo, found;
   int verbose = 0;
-  
+
   /* Namen einlesen */
 
@@ -926 +927 @@
   ParseForParameter(verbose,file,"ScaleTempStep", 0, 1, 1, int_type, &(config::ScaleTempStep), 1, optional);
   config::EpsWannier = 1e-8;
-  
+
   // stop conditions
   //if (config::MaxOuterStep <= 0) config::MaxOuterStep = 1;
   ParseForParameter(verbose,file,"MaxPsiStep", 0, 1, 1, int_type, &(config::MaxPsiStep), 1, critical);
   if (config::MaxPsiStep <= 0) config::MaxPsiStep = 3;
-  
+
   ParseForParameter(verbose,file,"MaxMinStep", 0, 1, 1, int_type, &(config::MaxMinStep), 1, critical);
   ParseForParameter(verbose,file,"MaxMinStep", 0, 2, 1, double_type, &(config::RelEpsTotalEnergy), 1, critical);
@@ -939 +940 @@
   if (config::MaxMinStopStep < 1) config::MaxMinStopStep = 1;
   config::MaxMinGapStopStep = 1;
-  
+
   ParseForParameter(verbose,file,"MaxInitMinStep", 0, 1, 1, int_type, &(config::MaxInitMinStep), 1, critical);
   ParseForParameter(verbose,file,"MaxInitMinStep", 0, 2, 1, double_type, &(config::InitRelEpsTotalEnergy), 1, critical);
@@ -970 +971 @@
   } else {
     fprintf(stderr, "0 <= RiemanTensor < 2: 0 UseNotRT, 1 UseRT");
-    exit(1); 
+    exit(1);
   }
   switch (config::RiemannTensor) {
@@ -987 +988 @@
       if (config::RiemannLevel < 2) {
         config::RiemannLevel = 2;
-      } 
+      }
       if (config::RiemannLevel > config::MaxLevel-1) {
         config::RiemannLevel = config::MaxLevel-1;
@@ -994 +995 @@
       if (config::LevRFactor < 2) {
         config::LevRFactor = 2;
-      } 
+      }
       config::Lev0Factor = 2;
       config::RTActualUse = 2;
@@ -1004 +1005 @@
   } else {
     fprintf(stderr, "0 <= PsiType < 2: 0 UseSpinDouble, 1 UseSpinUpDown");
-    exit(1); 
+    exit(1);
   }
   switch (config::PsiType) {
@@ -1018 +1019 @@
     break;
   }
-  
+
   // IonsInitRead
-  
+
   ParseForParameter(verbose,file,"RCut", 0, 1, 1, double_type, &(config::RCut), 1, critical);
   ParseForParameter(verbose,file,"IsAngstroem", 0, 1, 1, int_type, &(config::IsAngstroem), 1, critical);
@@ -1027 +1028 @@
 
   // Routine from builder.cpp
-  
-  
-  for (i=MAX_ELEMENTS;i--;) 
+
+
+  for (i=MAX_ELEMENTS;i--;)
     elementhash[i] = NULL;
   cout << Verbose(0) << "Parsing Ions ..." << endl;
@@ -1040 +1041 @@
     }
     if (found > 0) {
-      if (zeile.find("Ions_Data") == 0) 
+      if (zeile.find("Ions_Data") == 0)
         getline(*file,zeile,'\n'); // read next line and parse this one
       istringstream input(zeile);
@@ -1069 +1070 @@
       No++;
     }
-  }   
+  }
   file->close();
   delete(file);
@@ -1077 +1078 @@
  * \param *filename name of file
  * \param *periode pointer to a periodentafel class with all elements
- * \param *mol pointer to molecule containing all atoms of the molecule 
+ * \param *mol pointer to molecule containing all atoms of the molecule
  */
 bool config::Save(const char *filename, periodentafel *periode, molecule *mol) const
@@ -1207 +1208 @@
  * Note that this format cannot be parsed again.
  * \param *filename name of file (without ".in" suffix!)
- * \param *mol pointer to molecule containing all atoms of the molecule 
+ * \param *mol pointer to molecule containing all atoms of the molecule
  */
 bool config::SaveMPQC(const char *filename, molecule *mol) const
@@ -1218 +1219 @@
   ofstream *output = NULL;
   stringstream *fname = NULL;
-  
+
   // first without hessian
   fname = new stringstream;
@@ -1227 +1228 @@
   *output << "\tsavestate = no" << endl;
   *output << "\tdo_gradient = yes" << endl;
-  *output << "\tmole<CLHF>: (" << endl;
+  *output << "\tmole<MBPT2>: (" << endl;
   *output << "\t\tmaxiter = 200" << endl;
   *output << "\t\tbasis = $:basis" << endl;
   *output << "\t\tmolecule = $:molecule" << endl;
+  *output << "\t\treference<CLHF>: (" << endl;
+  *output << "\t\t\tbasis = $:basis" << endl;
+  *output << "\t\t\tmolecule = $:molecule" << endl;
+  *output << "\t\t)" << endl;
   *output << "\t)" << endl;
   *output << ")" << endl;
@@ -1313 +1318 @@
   delete(output);
   delete(fname);
-  
+
   return true;
 };
@@ -1325 +1330 @@
  * \param file file to be parsed
  * \param name Name of value in file (at least 3 chars!)
- * \param sequential 1 - do not reset file pointer to begin of file, 0 - set to beginning 
+ * \param sequential 1 - do not reset file pointer to begin of file, 0 - set to beginning
  *        (if file is sequentially parsed this can be way faster! However, beware of multiple values per line, as whole line is read -
  *         best approach: 0 0 0 1 (not resetted only on last value of line) - and of yth, which is now
@@ -1345 +1350 @@
   dummy1 = free_dummy = (char *) Malloc(256 * sizeof(char), "config::ParseForParameter: *free_dummy");
 
-  //fprintf(stderr,"Parsing for %s\n",name);  
+  //fprintf(stderr,"Parsing for %s\n",name);
   if (repetition == 0)
     //Error(SomeError, "ParseForParameter(): argument repetition must not be 0!");
@@ -1366 +1371 @@
           file->clear();
           file->seekg(file_position, ios::beg);  // rewind to start position
-          Free((void **)&free_dummy, "config::ParseForParameter: *free_dummy");          
+          Free((void **)&free_dummy, "config::ParseForParameter: *free_dummy");
           return 0;
         }
@@ -1372 +1377 @@
       line++;
     } while (dummy != NULL && dummy1 != NULL && ((dummy1[0] == '#') || (dummy1[0] == '\0'))); // skip commentary and empty lines
-    
+
     // C++ getline removes newline at end, thus re-add
     if ((dummy1 != NULL) && (strchr(dummy1,'\n') == NULL)) {
@@ -1398 +1403 @@
         //fprintf(stderr,"Error: Cannot find tabs or spaces on line %i in search for %s\n", line, name);
         //Free((void **)&free_dummy);
-        //Error(FileOpenParams, NULL);      
+        //Error(FileOpenParams, NULL);
       } else {
         //fprintf(stderr,"found tab at %i\n",(char *)dummy-(char *)dummy1);
@@ -1407 +1412 @@
     if ((name == NULL) || (((dummy-dummy1 >= 3) && (strncmp(dummy1, name, strlen(name)) == 0)) && ((unsigned int)(dummy-dummy1) == strlen(name)))) {
       found++; // found the parameter!
-      //fprintf(stderr,"found %s at line %i between %i and %i\n", name, line, dummy1, dummy);    
-      
+      //fprintf(stderr,"found %s at line %i between %i and %i\n", name, line, dummy1, dummy);
+
       if (found == repetition) {
         for (i=0;i<xth;i++) { // i = rows
@@ -1447 +1452 @@
             dummy1[j+1] = '\0';
           }
-  
+
           int start = (type >= grid) ? 0 : yth-1 ;
           for (j=start;j<yth;j++) { // j = columns
@@ -1470 +1475 @@
                     //return 0;
                     exit(255);
-                    //Error(FileOpenParams, NULL);      
+                    //Error(FileOpenParams, NULL);
                   } else {
                     //if (!sequential)
@@ -1485 +1490 @@
                 // found comment, skipping rest of line
                 //if (verbose) fprintf(stderr,"Error: '#' at %i and still missing %i value(s) for parameter %s\n", line, yth-j, name);
-                if (!sequential) { // here we need it! 
+                if (!sequential) { // here we need it!
                   file->seekg(file_position, ios::beg);  // rewind to start position
                 }
@@ -1500 +1505 @@
                     //value += sizeof(int);
                   break;
-                case(row_double): 
+                case(row_double):
                 case(grid):
                 case(lower_trigrid):
@@ -1541 +1546 @@
       }
     }
-  } 
+  }
   if ((type >= row_int) && (verbose)) fprintf(stderr,"\n");
   Free((void **)&free_dummy, "config::ParseForParameter: *free_dummy");
@@ -1549 +1554 @@
   }
   //fprintf(stderr, "End of Parsing\n\n");
-  
+
   return (found); // true if found, false if not
 }