Headers changed to new 2.0 version

GOMC-WSU · Jun 11, 2017 · 0113c83 · 0113c83
1 parent 5fc359b
commit 0113c83
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Showing 146 changed files with 2,481 additions and 2,434 deletions.
diff --git a/lib/BasicTypes.h b/lib/BasicTypes.h
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.
@@ -23,7 +23,7 @@ struct XYZ
    XYZ() : x(0.0), y(0.0), z(0.0) {}
    XYZ(double xVal, double yVal, double zVal) : x(xVal), y(yVal), z(zVal) {}
 
-   XYZ& operator=(XYZ const& rhs) 
+   XYZ& operator=(XYZ const& rhs)
    { x = rhs.x; y = rhs.y; z = rhs.z; return *this; }
    XYZ& operator+=(XYZ const& rhs)
    { x += rhs.x; y += rhs.y; z += rhs.z; return *this; }
@@ -53,10 +53,10 @@ struct XYZ
    XYZ operator-() const { return XYZ(*this) * -1.0; }
 
    void Inverse()
-  { 
-     x = 1.0 / x; 
-     y = 1.0 / y; 
-     z = 1.0 / z; 
+  {
+     x = 1.0 / x;
+     y = 1.0 / y;
+     z = 1.0 / z;
   }
 
    double Length() const { return sqrt(LengthSq()); }

diff --git a/lib/BitLib.h b/lib/BitLib.h
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.

diff --git a/lib/GeomLib.h b/lib/GeomLib.h
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.

diff --git a/lib/NumLib.h b/lib/NumLib.h
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.

diff --git a/lib/StrLib.h b/lib/StrLib.h
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.

diff --git a/lib/StrStrmLib.h b/lib/StrStrmLib.h
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.

diff --git a/lib/VectorLib.h b/lib/VectorLib.h
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.

diff --git a/src/BlockOutput.cpp b/src/BlockOutput.cpp
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.
@@ -19,7 +19,7 @@ along with this program, also can be found at <http://www.gnu.org/licenses/>.
 
 void BlockAverage::Init(std::ofstream* file0,
 			std::ofstream* file1,
-			const bool en, 
+			const bool en,
 			const double scale,
 			std::string const& var,
 			const uint bTot)
@@ -202,7 +202,7 @@ void BlockAverages::InitWatchMulti(config_setup::TrackedVars const& tracked)
       name = out::MOL_FRACTION + "_" + trimKindName;
       blocks[bkStart + out::MOL_FRACTION_IDX*var->numKinds].Init
         (&outBlock0, &outBlock1, tracked.molNum.block, invSteps, name, BOXES_WITH_U_NB);
-    }    
+    }
     for (uint b = 0; b < BOXES_WITH_U_NB; ++b)
     {
       uint kArrIdx = b*var->numKinds+k;

diff --git a/src/BlockOutput.h b/src/BlockOutput.h
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.
@@ -45,8 +45,8 @@ struct BlockAverage
   }
   //Initializes name, and enable
   void Init(std::ofstream *file0,
-	    std::ofstream *file1, 
-	    const bool en, 
+	    std::ofstream *file1,
+	    const bool en,
 	    const double scl,
 	    std::string const& var,
 	    const uint bTot = BOX_TOTAL);
@@ -79,7 +79,7 @@ struct BlockAverage
   }
   void DoWrite(const ulong step);
   void printTitle(std::string output, uint boxes);
-  
+
   std::ofstream* outBlock0;
   std::ofstream* outBlock1;
   bool first;

diff --git a/src/BoxDimensions.cpp b/src/BoxDimensions.cpp
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.

diff --git a/src/BoxDimensions.h b/src/BoxDimensions.h
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.
@@ -183,7 +183,7 @@ inline BoxDimensions& BoxDimensions::operator=(BoxDimensions const& other)
   rCut = other.rCut;
   rCutSq = other.rCutSq;
   constArea = other.constArea;
- 
+
   return *this;
 }
 
@@ -220,14 +220,14 @@ inline void BoxDimensions::SetVolume(const uint b, const double vol)
      double z_x = axis.z[b] / axis.x[b];
      double y_x = axis.y[b] / axis.x[b];
      double newAxX_b = pow(vol / (z_x * y_x), (1.0/3.0));
-     XYZ newAx_b(newAxX_b, y_x * newAxX_b, newAxX_b * z_x);    
+     XYZ newAx_b(newAxX_b, y_x * newAxX_b, newAxX_b * z_x);
      axis.Set(b, newAx_b);
      newAx_b *= 0.5;
      halfAx.Set(b, newAx_b);
    }
    volume[b] = vol;
    volInv[b] = 1.0/vol;
-   
+
 }
 
 inline XYZ BoxDimensions::MinImage(XYZ rawVec, const uint b) const

diff --git a/src/CBMC.cpp b/src/CBMC.cpp
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.
@@ -42,4 +42,4 @@ CBMC* MakeCBMC(System& sys, const Forcefield& ff,
   }
 }
 
-}
+}
diff --git a/src/CBMC.h b/src/CBMC.h
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.

diff --git a/src/COM.h b/src/COM.h
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.

diff --git a/src/CPUSide.cpp b/src/CPUSide.cpp
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.

diff --git a/src/CPUSide.h b/src/CPUSide.h
@@ -1,5 +1,5 @@
 /*******************************************************************************
-GPU OPTIMIZED MONTE CARLO (GOMC) 1.9
+GPU OPTIMIZED MONTE CARLO (GOMC) 2.0
 Copyright (C) 2016  GOMC Group
 A copy of the GNU General Public License can be found in the COPYRIGHT.txt
 along with this program, also can be found at <http://www.gnu.org/licenses/>.