Initialize at openlb-1-3

4 files changed, 553 insertions, 0 deletions

diff --git a/examples/multiComponent/contactAngle2d/Makefile b/examples/multiComponent/contactAngle2d/Makefile
new file mode 100644
index 0000000..a953954
--- /dev/null
+++ b/examples/multiComponent/contactAngle2d/Makefile
@@ -0,0 +1,105 @@
+#  This file is part of the OpenLB library
+#
+#  Copyright (C) 2007 Mathias Krause
+#  E-mail contact: info@openlb.net
+#  The most recent release of OpenLB can be downloaded at
+#  <http://www.openlb.net/>
+#
+#  This program is free software; you can redistribute it and/or
+#  modify it under the terms of the GNU General Public License
+#  as published by the Free Software Foundation; either version 2
+#  of the License, or (at your option) any later version.
+#
+#  This program is distributed in the hope that it will be useful,
+#  but WITHOUT ANY WARRANTY; without even the implied warranty of
+#  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+#  GNU General Public License for more details.
+#
+#  You should have received a copy of the GNU General Public
+#  License along with this program; if not, write to the Free
+#  Software Foundation, Inc., 51 Franklin Street, Fifth Floor,
+#  Boston, MA  02110-1301, USA.
+
+###########################################################################
+## definitions
+
+include definitions.mk
+
+include $(ROOT)/global.mk
+
+OBJECTS    := $(foreach file, $(SRC), $(PWD)/$(file:.cpp=.o))
+DEPS       := $(foreach file, $(SRC), $(PWD)/$(file:.cpp=.d))
+
+###########################################################################
+## all
+
+all : depend compile link
+
+
+###########################################################################
+## dependencies
+
+depend : $(DEPS)
+
+$(PWD)/%.d : %.cpp
+	@echo Create dependencies for $<
+	@$(SHELL) -ec '$(CXX) -M $(CXXFLAGS) $(IDIR) $< \
+                       | sed -e "s!$*\.o!$(PWD)\/$*\.o!1" > .tmpfile; \
+                       cp -f .tmpfile $@;'
+
+###########################################################################
+## compile
+
+compile : $(OBJECTS)
+
+$(PWD)/%.o: %.cpp
+	@echo Compile $<
+	$(CXX) $(CXXFLAGS) $(IDIR) -c $< -o $@
+
+###########################################################################
+## clean
+
+clean : cleanrub cleanobj cleandep
+
+cleanrub:
+	@echo Clean rubbish files
+	@rm -f *~ core .tmpfile tmp/*.* $(OUTPUT)
+	@rm -f tmp/vtkData/*.* tmp/vtkData/data/*.* tmp/imageData/*.* tmp/gnuplotData/*.* tmp/gnuplotData/data/*.*
+
+cleanobj:
+	@echo Clean object files
+	@rm -f $(OBJECTS)
+
+cleandep:
+	@echo Clean dependencies files
+	@rm -f $(DEPS)
+
+cleanbuild:
+	@cd $(ROOT); \
+	 $(MAKE) cleanlib;
+
+###########################################################################
+## update lib
+
+$(ROOT)/$(LIBDIR)/lib$(LIB).a :
+	@cd $(ROOT); \
+	$(MAKE) all
+
+###########################################################################
+## link
+
+link: $(OUTPUT)
+
+$(OUTPUT): $(OBJECTS) $(ROOT)/$(LIBDIR)/lib$(LIB).a
+	@echo Link $@
+	$(CXX) $(foreach file, $(SRC), $(file:.cpp=.o)) $(LDFLAGS) -L$(ROOT)/$(LIBDIR) -l$(LIB) -lz -o $@
+
+###########################################################################
+## include dependencies
+
+ifneq "$(strip $(wildcard *.d))" ""
+   include $(foreach file,$(DEPS),$(file))
+endif
+
+###########################################################################
+###########################################################################
diff --git a/examples/multiComponent/contactAngle2d/contactAngle2d.cpp b/examples/multiComponent/contactAngle2d/contactAngle2d.cpp
new file mode 100644
index 0000000..5726b65
--- /dev/null
+++ b/examples/multiComponent/contactAngle2d/contactAngle2d.cpp
@@ -0,0 +1,389 @@
+/*  Lattice Boltzmann sample, written in C++, using the OpenLB
+ *  library
+ *
+ *  Copyright (C) 2019 Sam Avis
+ *  E-mail contact: info@openlb.net
+ *  The most recent release of OpenLB can be downloaded at
+ *  <http://www.openlb.net/>
+ *
+ *  This program is free software; you can redistribute it and/or
+ *  modify it under the terms of the GNU General Public License
+ *  as published by the Free Software Foundation; either version 2
+ *  of the License, or (at your option) any later version.
+ *
+ *  This program is distributed in the hope that it will be useful,
+ *  but WITHOUT ANY WARRANTY; without even the implied warranty of
+ *  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ *  GNU General Public License for more details.
+ *
+ *  You should have received a copy of the GNU General Public
+ *  License along with this program; if not, write to the Free
+ *  Software Foundation, Inc., 51 Franklin Street, Fifth Floor,
+ *  Boston, MA  02110-1301, USA.
+ */
+
+/* contactAngle2d.cpp
+ * In this example a semi-circular droplet of fluid is initialised
+ * within a different fluid at a solid boundary. The contact angle
+ * is measured as the droplet comes to equilibrium. This is compared
+ * with the analytical angle (100 degrees) predicted by the
+ * parameters set for the boundary.
+ *
+ * This example demonstrates how to use the wetting solid boundaries
+ * for the free-energy model with two fluid components.
+ */
+
+#include "olb2D.h"
+#include "olb2D.hh"   // use only generic version!
+#include <cstdlib>
+#include <iostream>
+#include <fstream>
+#include <math.h>
+
+using namespace olb;
+using namespace olb::descriptors;
+using namespace olb::graphics;
+using namespace std;
+
+typedef double T;
+#define DESCRIPTOR D2Q9<CHEM_POTENTIAL,FORCE>
+
+// Parameters for the simulation setup
+const int N = 75;
+const T nx  = 75.;
+const T ny  = 50.;
+const T radius = 0.25 * nx;
+
+const T alpha = 1.;      // Interfacial width         [lattice units]
+const T kappa1 = 0.005;  // For surface tensions      [lattice units]
+const T kappa2 = 0.005;  // For surface tensions      [lattice units]
+const T gama = 10.;      // For mobility of interface [lattice units]
+const T h1 =  0.0001448; // Contact angle 100 degrees [lattice units]
+const T h2 = -0.0001448; // Contact angle 100 degrees [lattice units]
+
+const int maxIter = 70000;
+const int vtkIter  = 1000;
+const int statIter = 1000;
+const bool calcAngle = true;
+
+T angle_prev = 90.;
+
+
+void prepareGeometry( SuperGeometry2D<T>& superGeometry, 
+                      UnitConverter<T, DESCRIPTOR>& converter) {
+
+  OstreamManager clout( std::cout,"prepareGeometry" );
+  clout << "Prepare Geometry ..." << std::endl;
+
+  superGeometry.rename( 0,2 );
+
+  Vector<T,2> extend(nx+2., ny-1.*converter.getPhysDeltaX() );
+  Vector<T,2> origin( -1., 0.5*converter.getPhysDeltaX() );
+  IndicatorCuboid2D<T> inner ( extend, origin );
+  superGeometry.rename( 2,1,inner );
+
+  superGeometry.innerClean();
+  superGeometry.checkForErrors();
+  superGeometry.print();
+
+  clout << "Prepare Geometry ... OK" << std::endl;
+}
+
+
+void prepareLattice( SuperLattice2D<T, DESCRIPTOR>& sLattice1,
+                     SuperLattice2D<T, DESCRIPTOR>& sLattice2,
+                     Dynamics<T, DESCRIPTOR>& bulkDynamics1,
+                     Dynamics<T, DESCRIPTOR>& bulkDynamics2,
+                     UnitConverter<T, DESCRIPTOR>& converter,
+                     SuperGeometry2D<T>& superGeometry,
+                     sOnLatticeBoundaryCondition2D<T,DESCRIPTOR>& sOnBC1,
+                     sOnLatticeBoundaryCondition2D<T,DESCRIPTOR>& sOnBC2 ) {
+
+  OstreamManager clout( std::cout,"prepareLattice" );
+  clout << "Prepare Lattice ..." << std::endl;
+ 
+  // Define lattice Dynamics
+  sLattice1.defineDynamics( superGeometry, 0, &instances::getNoDynamics<T, DESCRIPTOR>() );
+  sLattice2.defineDynamics( superGeometry, 0, &instances::getNoDynamics<T, DESCRIPTOR>() );
+  sLattice1.defineDynamics( superGeometry, 1, &bulkDynamics1 );
+  sLattice2.defineDynamics( superGeometry, 1, &bulkDynamics2 );
+  sLattice1.defineDynamics( superGeometry, 2, &instances::getNoDynamics<T, DESCRIPTOR>() );
+  sLattice2.defineDynamics( superGeometry, 2, &instances::getNoDynamics<T, DESCRIPTOR>() );
+
+  // Add wall boundary
+  sOnBC1.addFreeEnergyWallBoundary( superGeometry, 2, alpha, kappa1, kappa2, h1, h2, 1 );
+  sOnBC2.addFreeEnergyWallBoundary( superGeometry, 2, alpha, kappa1, kappa2, h1, h2, 2 );
+
+  // Bulk initial conditions
+  // Define circular domain for fluid 2
+  std::vector<T> v( 2,T() );
+  AnalyticalConst2D<T,T> zeroVelocity( v );
+
+  AnalyticalConst2D<T,T> one( 1.0 );
+  SmoothIndicatorCircle2D<T,T> circle( {nx/2., 0.}, radius, 10.*alpha );
+
+  AnalyticalIdentity2D<T,T> rho( one );
+  AnalyticalIdentity2D<T,T> phi( one - circle - circle );
+  
+  sLattice1.iniEquilibrium( superGeometry, 1, rho, zeroVelocity );
+  sLattice2.iniEquilibrium( superGeometry, 1, phi, zeroVelocity );
+
+  sLattice1.iniEquilibrium( superGeometry, 2, rho, zeroVelocity );
+  sLattice2.iniEquilibrium( superGeometry, 2, phi, zeroVelocity );
+
+  sLattice1.initialize();
+  sLattice2.initialize();
+
+  sLattice1.communicate();
+  sLattice2.communicate();
+
+  clout << "Prepare Lattice ... OK" << std::endl;
+}
+
+
+void prepareCoupling( SuperLattice2D<T, DESCRIPTOR>& sLattice1,
+                      SuperLattice2D<T, DESCRIPTOR>& sLattice2,
+                      SuperGeometry2D<T>& superGeometry ) {
+
+  OstreamManager clout( std::cout,"prepareCoupling" );
+  clout << "Add lattice coupling" << endl;
+
+  // Add the lattice couplings (not to the solid nodes)
+  // The chemical potential coupling must come before the force coupling
+  FreeEnergyChemicalPotentialGenerator2D<T, DESCRIPTOR> coupling1(
+    alpha, kappa1, kappa2);
+  FreeEnergyForceGenerator2D<T, DESCRIPTOR> coupling2;
+
+  sLattice1.addLatticeCoupling( superGeometry, 1, coupling1, sLattice2 );
+  sLattice2.addLatticeCoupling( superGeometry, 1, coupling2, sLattice1 );
+
+  clout << "Add lattice coupling ... OK!" << endl;
+}
+
+
+void getResults( SuperLattice2D<T, DESCRIPTOR>& sLattice1,
+                 SuperLattice2D<T, DESCRIPTOR>& sLattice2, int iT,
+                 SuperGeometry2D<T>& superGeometry, Timer<T>& timer,
+                 UnitConverter<T, DESCRIPTOR> converter ) {
+
+  OstreamManager clout( std::cout,"getResults" );
+  SuperVTMwriter2D<T> vtmWriter( "contactAngle2d" );
+
+  if ( iT==0 ) {
+    // Writes the geometry, cuboid no. and rank no. as vti file for visualization
+    SuperLatticeGeometry2D<T, DESCRIPTOR> geometry( sLattice1, superGeometry );
+    SuperLatticeCuboid2D<T, DESCRIPTOR> cuboid( sLattice1 );
+    SuperLatticeRank2D<T, DESCRIPTOR> rank( sLattice1 );
+    vtmWriter.write( geometry );
+    vtmWriter.write( cuboid );
+    vtmWriter.write( rank );
+    vtmWriter.createMasterFile();
+  }
+
+  // Get statistics
+  if ( iT%statIter==0 ) {
+    // Timer console output
+    timer.update( iT );
+    timer.printStep();
+    sLattice1.getStatistics().print( iT, converter.getPhysTime(iT) );
+    sLattice2.getStatistics().print( iT, converter.getPhysTime(iT) );
+  }
+
+  // Writes the VTK files
+  if ( iT%vtkIter==0 ) {
+    AnalyticalConst2D<T,T> half_( 0.5 );
+    SuperLatticeFfromAnalyticalF2D<T, DESCRIPTOR> half(half_, sLattice1);
+    
+    SuperLatticeVelocity2D<T, DESCRIPTOR> velocity( sLattice1 );
+    SuperLatticeDensity2D<T, DESCRIPTOR> rho( sLattice1 );
+    rho.getName() = "rho";
+    SuperLatticeDensity2D<T, DESCRIPTOR> phi( sLattice2 );
+    phi.getName() = "phi";
+
+    SuperIdentity2D<T,T> c1 (half*(rho+phi));
+    c1.getName() = "density-fluid-1";
+    SuperIdentity2D<T,T> c2 (half*(rho-phi));
+    c2.getName() = "density-fluid-2";
+
+    vtmWriter.addFunctor( velocity );
+    vtmWriter.addFunctor( rho );
+    vtmWriter.addFunctor( phi );
+    vtmWriter.addFunctor( c1 );
+    vtmWriter.addFunctor( c2 );
+    vtmWriter.write( iT );
+
+    // Evaluation of contact angle
+    if (calcAngle) {
+      int Ny = (int)( N * ny / nx );
+      T dx = converter.getPhysDeltaX();
+      AnalyticalFfromSuperF2D<T,T> interpolPhi( phi, true, 1 );
+
+      T base1 = 0.;
+      T base2 = 0.;
+      T height1 = 0.;
+      T height2 = 0.;
+
+      double pos[2] = {0., dx};
+      for(int ix=0; ix<N; ix++) {
+        T phi1, phi2;
+        pos[0] = ix * dx;
+        interpolPhi( &phi1, pos );
+        if (phi1 < 0.) {
+          pos[0] = (ix-1) * dx;
+          interpolPhi( &phi2, pos );
+          base1 = 2. * ( 0.5*N - ix + phi1/(phi1-phi2) );
+          break;
+        }
+      }
+
+      pos[1] = 3.*dx;
+      for(int ix=0; ix<N; ix++) {
+        T phi1, phi2;
+        pos[0] = ix * dx;
+        interpolPhi( &phi1, pos );
+        if (phi1 < 0.) {
+          pos[0] = (ix-1) * dx;
+          interpolPhi( &phi2, pos );
+          base2 = 2. * ( 0.5*N - ix + phi1/(phi1-phi2) );
+          break;
+        }
+      }
+
+      pos[0] = nx / 2.;
+      for(int iy=2; iy<Ny; iy++) {
+        T phi1, phi2;
+        pos[1] = iy * dx;
+        interpolPhi( &phi1, pos );
+        if (phi1 > 0.) {
+          pos[1] = (iy-1) * dx;
+          interpolPhi( &phi2, pos );
+          height1 = iy - 1. - phi1/(phi1-phi2);
+          height2 = iy - 3. - phi1/(phi1-phi2);
+          break;
+        }
+      }
+
+      // Calculate simulated contact angle
+      T pi = 3.14159265;
+      T height = height1 + 1.;
+      T base = base1 + 2 * (radius - height1) / base1;
+      T radius = (4.*height2*height2 + base2*base2) / ( 8.*height2 );
+      T angle_rad = pi + atan( 0.5*base / (radius - height) );
+      T angle = angle_rad * 180. / pi;
+      if ( angle > 180. ) angle -= 180.;
+
+      // Calculate theoretical contact angle
+      T ak1 = alpha * kappa1;
+      T ak2 = alpha * kappa2;
+      T k12 = kappa1 + kappa2;
+      T num1 = pow(ak1 + 4 * h1, 1.5) - pow(ak1 - 4 * h1, 1.5);
+      T num2 = pow(ak2 + 4 * h2, 1.5) - pow(ak2 - 4 * h2, 1.5);
+      T angle_an = 180 / pi * acos(num2 / (2 * k12 * sqrt(ak2)) - \
+                                   num1 / (2 * k12 * sqrt(ak1)));
+
+      clout << "----->>>>> Contact angle: " << angle << " ; ";
+      clout << "Analytical contact angle: " << angle_an <<  std::endl;
+      clout << "----->>>>> Difference to previous: " << angle-angle_prev << std::endl;
+      angle_prev = angle;   
+    }
+  }
+}
+
+
+int main( int argc, char *argv[] ) {
+
+  // === 1st Step: Initialization ===
+
+  olbInit( &argc, &argv );
+  singleton::directories().setOutputDir( "./tmp/" );
+  OstreamManager clout( std::cout,"main" );
+
+  UnitConverterFromResolutionAndRelaxationTime<T,DESCRIPTOR> converter(
+    (T)   N, // resolution
+    (T)   1., // lattice relaxation time (tau)
+    (T)   nx, // charPhysLength: reference length of simulation geometry
+    (T)   0.0001, // charPhysVelocity: maximal/highest expected velocity during simulation in __m / s__
+    (T)   1.002e-8, // physViscosity: physical kinematic viscosity in __m^2 / s__
+    (T)   1. // physDensity: physical density in __kg / m^3__
+  );
+
+  // Prints the converter log as console output
+  converter.print();
+
+  // === 2nd Step: Prepare Geometry ===
+  std::vector<T> extend = { nx, ny };
+  std::vector<T> origin = { 0., 0. };
+  IndicatorCuboid2D<T> cuboid(extend,origin);
+#ifdef PARALLEL_MODE_MPI
+  CuboidGeometry2D<T> cGeometry( cuboid, converter.getPhysDeltaX(), singleton::mpi().getSize() );
+#else
+  CuboidGeometry2D<T> cGeometry( cuboid, converter.getPhysDeltaX() );
+#endif
+
+  // Set periodic boundaries to the domain
+  cGeometry.setPeriodicity( true, false );
+
+  // Instantiation of loadbalancer
+  HeuristicLoadBalancer<T> loadBalancer( cGeometry );
+  loadBalancer.print();
+
+  // Instantiation of superGeometry
+  SuperGeometry2D<T> superGeometry( cGeometry,loadBalancer );
+
+  prepareGeometry( superGeometry, converter );
+
+  // === 3rd Step: Prepare Lattice ===
+  SuperLattice2D<T, DESCRIPTOR> sLattice1( superGeometry );
+  SuperLattice2D<T, DESCRIPTOR> sLattice2( superGeometry );
+
+  ForcedBGKdynamics<T, DESCRIPTOR> bulkDynamics1 (
+    converter.getLatticeRelaxationFrequency(),
+    instances::getBulkMomenta<T,DESCRIPTOR>() );
+
+  FreeEnergyBGKdynamics<T, DESCRIPTOR> bulkDynamics2 (
+    converter.getLatticeRelaxationFrequency(), gama,
+    instances::getBulkMomenta<T,DESCRIPTOR>() );
+
+  sOnLatticeBoundaryCondition2D<T,DESCRIPTOR> sOnBC1( sLattice1 );
+  sOnLatticeBoundaryCondition2D<T,DESCRIPTOR> sOnBC2( sLattice2 );
+  createLocalBoundaryCondition2D<T,DESCRIPTOR> (sOnBC1);
+  createLocalBoundaryCondition2D<T,DESCRIPTOR> (sOnBC2);
+
+  prepareLattice( sLattice1, sLattice2, bulkDynamics1, bulkDynamics2,
+                  converter, superGeometry, sOnBC1, sOnBC2 );
+
+  prepareCoupling( sLattice1, sLattice2, superGeometry);
+
+  SuperExternal2D<T,DESCRIPTOR,CHEM_POTENTIAL> sExternal1 (superGeometry, sLattice1, sLattice1.getOverlap() );
+  SuperExternal2D<T,DESCRIPTOR,CHEM_POTENTIAL> sExternal2 (superGeometry, sLattice2, sLattice2.getOverlap() );
+
+  // === 4th Step: Main Loop with Timer ===
+  int iT = 0;
+  clout << "starting simulation..." << endl;
+  Timer<T> timer( maxIter, superGeometry.getStatistics().getNvoxel() );
+  timer.start();
+
+  for ( iT=0; iT<=maxIter; ++iT ) {
+    // Computation and output of the results
+    getResults( sLattice1, sLattice2, iT, superGeometry, timer, converter );
+
+    // Collide and stream execution
+    sLattice1.collideAndStream();
+    sLattice2.collideAndStream();
+
+    // MPI communication for lattice data
+    sLattice1.communicate();
+    sLattice2.communicate();
+
+    // Execute coupling between the two lattices
+    sLattice1.executeCoupling();
+    sExternal1.communicate();
+    sExternal2.communicate();
+    sLattice2.executeCoupling();
+  }
+
+  timer.stop();
+  timer.printSummary();
+
+}
+
diff --git a/examples/multiComponent/contactAngle2d/definitions.mk b/examples/multiComponent/contactAngle2d/definitions.mk
new file mode 100644
index 0000000..57bdd14
--- /dev/null
+++ b/examples/multiComponent/contactAngle2d/definitions.mk
@@ -0,0 +1,30 @@
+#  This file is part of the OpenLB library
+#
+#  Copyright (C) 2007 Mathias Krause
+#  E-mail contact: info@openlb.net
+#  The most recent release of OpenLB can be downloaded at
+#  <http://www.openlb.net/>
+#
+#  This program is free software; you can redistribute it and/or
+#  modify it under the terms of the GNU General Public License
+#  as published by the Free Software Foundation; either version 2
+#  of the License, or (at your option) any later version.
+#
+#  This program is distributed in the hope that it will be useful,
+#  but WITHOUT ANY WARRANTY; without even the implied warranty of
+#  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+#  GNU General Public License for more details.
+#
+#  You should have received a copy of the GNU General Public
+#  License along with this program; if not, write to the Free
+#  Software Foundation, Inc., 51 Franklin Street, Fifth Floor,
+#  Boston, MA  02110-1301, USA.
+
+
+###########################################################################
+###########################################################################
+## DEFINITIONS TO BE CHANGED
+
+ROOT            := ../../..
+SRC             := contactAngle2d.cpp
+OUTPUT          := contactAngle2d
diff --git a/examples/multiComponent/contactAngle2d/module.mk b/examples/multiComponent/contactAngle2d/module.mk
new file mode 100644
index 0000000..1190482
--- /dev/null
+++ b/examples/multiComponent/contactAngle2d/module.mk
@@ -0,0 +1,29 @@
+#  This file is part of the OpenLB library
+#
+#  Copyright (C) 2017 Markus Mohrhard
+#  E-mail contact: info@openlb.net
+#  The most recent release of OpenLB can be downloaded at
+#  <http://www.openlb.net/>
+#
+#  This program is free software; you can redistribute it and/or
+#  modify it under the terms of the GNU General Public License
+#  as published by the Free Software Foundation; either version 2
+#  of the License, or (at your option) any later version.
+#
+#  This program is distributed in the hope that it will be useful,
+#  but WITHOUT ANY WARRANTY; without even the implied warranty of
+#  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+#  GNU General Public License for more details.
+#
+#  You should have received a copy of the GNU General Public
+#  License along with this program; if not, write to the Free
+#  Software Foundation, Inc., 51 Franklin Street, Fifth Floor,
+#  Boston, MA  02110-1301, USA.
+
+current_dir := $(dir $(word $(words $(MAKEFILE_LIST)),$(MAKEFILE_LIST)))
+
+include global.mk
+include rules.mk
+include $(addsuffix definitions.mk, $(current_dir))
+
+$(eval $(call sample,$(current_dir)$(OUTPUT),$(addprefix $(current_dir), $(SRC))))