Changes in src/boundary.cpp [1f91f4:a5028f]

File:

• src/boundary.cpp (modified) (11 diffs)

src/boundary.cpp

@@ -40 +40 @@
 #include "LinearAlgebra/Plane.hpp"
 #include "LinearAlgebra/RealSpaceMatrix.hpp"
+#include "RandomNumbers/RandomNumberGeneratorFactory.hpp"
+#include "RandomNumbers/RandomNumberGenerator.hpp"
 #include "Box.hpp"
 
@@ -831 +833 @@
 
   // initialize seed of random number generator to current time
-  srand ( time(NULL) );
+  RandomNumberGenerator &random = RandomNumberGeneratorFactory::getInstance().makeRandomNumberGenerator();
+  const double rng_min = random.min();
+  const double rng_max = random.max();
+  //srand ( time(NULL) );
 
   // go over [0,1]^3 filler grid
@@ -841 +846 @@
         // create molecule random translation vector ...
         for (int i=0;i<NDIM;i++)
-          FillerTranslations[i] = RandomMolDisplacement*(rand()/(RAND_MAX/2.) - 1.);
+          FillerTranslations[i] = RandomMolDisplacement*(random()/((rng_max-rng_min)/2.) - 1.);
         DoLog(2) && (Log() << Verbose(2) << "INFO: Current Position is " << CurrentPosition << "+" << FillerTranslations << "." << endl);
 
@@ -851 +856 @@
         if (DoRandomRotation)
           for (int i=0;i<NDIM;i++)
-            phi[i] = (rand()/RAND_MAX)*(2.*M_PI);
+            phi[i] = (random()/(rng_max-rng_min))*(2.*M_PI);
 
         for(molecule::const_iterator iter = filler->begin(); iter !=filler->end();++iter){
@@ -857 +862 @@
           // create atomic random translation vector ...
           for (int i=0;i<NDIM;i++)
-            AtomTranslations[i] = RandomAtomDisplacement*(rand()/(RAND_MAX/2.) - 1.);
+            AtomTranslations[i] = RandomAtomDisplacement*(random()/((rng_max-rng_min)/2.) - 1.);
 
           // ... and rotation matrix
@@ -939 +944 @@
     molecule *&Filling,
     double RandomAtomDisplacement,
-    RealSpaceMatrix &Rotations
+    RealSpaceMatrix &Rotations,
+    RandomNumberGenerator &random
     )
 {
+  const double rng_min = random.min();
+  const double rng_max = random.max();
+
   Vector AtomTranslations;
   for(molecule::iterator miter = Filling->begin(); miter != Filling->end(); ++miter) {
@@ -949 +958 @@
     // create atomic random translation vector ...
     for (int i=0;i<NDIM;i++)
-      AtomTranslations[i] = RandomAtomDisplacement*(rand()/(RAND_MAX/2.) - 1.);
+      AtomTranslations[i] = RandomAtomDisplacement*(random()/((rng_max-rng_min)/2.) - 1.);
     (*miter)->setPosition((*miter)->getPosition() + AtomTranslations);
   }
@@ -1090 +1099 @@
 
   // initialize seed of random number generator to current time
-  srand ( time(NULL) );
+  RandomNumberGenerator &random = RandomNumberGeneratorFactory::getInstance().makeRandomNumberGenerator();
+  const double rng_min = random.min();
+  const double rng_max = random.max();
+  //srand ( time(NULL) );
 
   // go over [0,1]^3 filler grid
@@ -1099 +1111 @@
         CurrentPosition = M * Vector((double)n[0]/(double)N[0], (double)n[1]/(double)N[1], (double)n[2]/(double)N[2]);
         // create molecule random translation vector ...
-        for (int i=0;i<NDIM;i++)
-          FillerTranslations[i] = RandomMolDisplacement*(rand()/(RAND_MAX/2.) - 1.);
+        for (int i=0;i<NDIM;i++) // have the random values [-1,1]*RandomMolDisplacement
+          FillerTranslations[i] = RandomMolDisplacement*(random()/((rng_max-rng_min)/2.) - 1.);
         DoLog(2) && (Log() << Verbose(2) << "INFO: Current Position is " << CurrentPosition << "+" << FillerTranslations << "." << endl);
 
@@ -1130 +1142 @@
           // fill!
           Filling = filler->CopyMolecule();
-          RandomizeMoleculePositions(Filling, RandomAtomDisplacement, Rotations);
+          RandomizeMoleculePositions(Filling, RandomAtomDisplacement, Rotations, random);
           // translation
           Filling->Translate(&Inserter);
@@ -1168 +1180 @@
     else
       Rotations.setIdentity();
-    RandomizeMoleculePositions(filler, RandomAtomDisplacement, Rotations);
+    RandomizeMoleculePositions(filler, RandomAtomDisplacement, Rotations, random);
     // translation
     filler->Translate(&firstInserter);