Start simulation with neutral atoms

examples/LaserWakefield/cmakeFlags

@@ -41,7 +41,7 @@ flags[8]="-DCUDA_ARCH=sm_20 -DPARAM_OVERWRITES:LIST=-DPARAM_DIMENSION=DIM2"
 flags[9]="-DCUDA_ARCH=sm_20 -DPARAM_OVERWRITES:LIST=-DPARAM_CURRENTSOLVER=Esirkepov;-DPARAM_PARTICLESHAPE=CIC;-DPARAM_DIMENSION=DIM2"
 flags[10]="-DCUDA_ARCH=sm_20 -DPARAM_OVERWRITES:LIST=-DPARAM_PRECISION=precision64Bit;-DPARAM_DIMENSION=DIM2"
 flags[11]="-DCUDA_ARCH=sm_35 -DPARAM_OVERWRITES:LIST=-DENABLE_CURRENT=0;-DPARAM_DIMENSION=DIM2"
-flags[12]="-DCUDA_ARCH=sm_35 -DPARAM_OVERWRITES:LIST=-DPARAM_GASPROFILE=gasSphereFlanks;-DPARAM_IONS=1;-DPARAM_IONIZATION=1"
+flags[12]="-DCUDA_ARCH=sm_35 -DPARAM_OVERWRITES:LIST=-DPARAM_IONS=1;-DPARAM_IONIZATION=1"
 ################################################################################
 # execution
 

examples/LaserWakefield/include/simulation_defines/param/particleConfig.param

@@ -1,5 +1,5 @@
 /**
- * Copyright 2013 Axel Huebl, Rene Widera
+ * Copyright 2013-2015 Axel Huebl, Rene Widera, Marco Garten
  *
  * This file is part of PIConGPU.
  *
@@ -23,6 +23,8 @@
 #pragma once
 
 #include "particles/startPosition/functors.def"
+#include "particles/manipulators/manipulators.def"
+#include "nvidia/functors/Assign.hpp"
 
 namespace picongpu
 {
@@ -65,6 +67,17 @@ typedef QuietImpl<QuietParameter> Quiet;
 
 
 } //namespace startPosition
+
+namespace manipulators
+{
+
+    struct BoundElectronsWhenNeutral
+    {
+        /* space for attribute initial parameters */
+    };
+    typedef SetAttributeImpl<BoundElectronsWhenNeutral,nvidia::functors::Assign> SetBoundElectrons;
+} //namespace manipulators
+
 } //namespace particles
 
 } //namespac picongpu

examples/LaserWakefield/include/simulation_defines/param/speciesInitialization.param

@@ -32,9 +32,18 @@ namespace picongpu
  * the functors are called in order (from first to last functor)
  */
 typedef mpl::vector<
+#if (PARAM_IONIZATION == 0)
+
     particles::CreateGas<gasProfiles::Gaussian,particles::startPosition::Random,PIC_Electrons>
-#if (ENABLE_IONS == 1)
-    ,particles::CloneSpecies<PIC_Electrons,PIC_Ions>
+    #if (ENABLE_IONS == 1)
+        ,particles::CloneSpecies<PIC_Electrons,PIC_Ions>
+    #endif
+
+#else
+
+    particles::CreateGas<gasProfiles::Gaussian,particles::startPosition::Random,PIC_Ions>,
+    particles::Manipulate<particles::manipulators::SetBoundElectrons,PIC_Ions>
+
 #endif
 > InitPipeline;
 

src/picongpu/include/particles/ionization/byField/BSI/AlgorithmBSI.hpp

@@ -24,6 +24,7 @@
 #include "particles/ionization/ionizationEnergies.param"
 #include "particles/traits/GetAtomicNumbers.hpp"
 #include "traits/attribute/GetChargeState.hpp"
+#include "algorithms/math/floatMath/floatingPoint.tpp"
 
 /** IONIZATION ALGORITHM 
  * - implements the calculation of ionization probability and changes charge states
@@ -59,8 +60,10 @@ namespace ionization
             const float_X protonNumber = GetAtomicNumbers<ParticleType>::type::numberOfProtons;
             float_X chargeState = attribute::getChargeState(parentIon);
 
+            uint32_t cs = math::float2int_rd(chargeState);
+
             /* ionization condition */
-            if (math::abs(eField)*UNIT_EFIELD >= SI::IONIZATION_EFIELD && chargeState < protonNumber)
+            if (math::abs(eField)*UNIT_EFIELD >= SI::IONIZATION_EFIELD[cs] && chargeState < protonNumber)
             {
                 /* set new particle charge state */
                 parentIon[boundElectrons_] -= float_X(1.0);

src/picongpu/include/particles/ionization/ionizationEnergies.param

@@ -36,9 +36,23 @@ namespace SI
 
     /* ionization energy for ground state hydrogen: 13.6 eV --> converted to Joule */
     /* Joule = kg * m^2 / s^2 */
-    const double IONIZATION_ENERGY = 2.179e-18; 
-    /* ionization field strength (E-field) for -""-: in Volt / meter */
-    const double IONIZATION_EFIELD = 5.14e11;
+    PMACC_CONST_VECTOR(float_X,1,IONIZATION_ENERGY,
+        2.179e-18
+    );
+    /* ionization field strength (E-field) for hydrogen: in Volt / meter 
+     * 
+     * usage: 
+     * PMACC_CONST_VECTOR(float_X,<NUMBER_OF_PROTONS>,IONIZATION_EFIELD,
+     *     <value_1>,
+     *     ...
+     *     <value_Z>
+     * );
+     * 
+     * Do not forget to change the weight of the ion and the atomic numbers in 
+     * their respective `.param` file */
+    PMACC_CONST_VECTOR(float_X,1,IONIZATION_EFIELD,
+        5.14e11
+    );
 
 } // namespace SI
 } // namespace picongpu

src/picongpu/include/particles/manipulators/SetAttributeImpl.def

@@ -0,0 +1,35 @@
+/**
+ * Copyright 2015 Marco Garten
+ *
+ * This file is part of PIConGPU.
+ *
+ * PIConGPU 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 3 of the License, or
+ * (at your option) any later version.
+ *
+ * PIConGPU 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 PIConGPU.
+ * If not, see <http://www.gnu.org/licenses/>.
+ */
+
+#pragma once
+
+namespace picongpu
+{
+namespace particles
+{
+namespace manipulators
+{
+
+template<typename T_ParamClass, typename T_ValueFunctor, typename T_SpeciesType = bmpl::_1>
+struct SetAttributeImpl;
+
+} //namespace manipulators
+} //namespace particles
+} //namespace picongpu

src/picongpu/include/particles/manipulators/SetAttributeImpl.hpp

@@ -0,0 +1,67 @@
+/**
+ * Copyright 2015 Marco Garten
+ *
+ * This file is part of PIConGPU.
+ *
+ * PIConGPU 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 3 of the License, or
+ * (at your option) any later version.
+ *
+ * PIConGPU 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 PIConGPU.
+ * If not, see <http://www.gnu.org/licenses/>.
+ */
+
+#pragma once
+
+#include "simulation_defines.hpp"
+
+
+namespace picongpu
+{
+namespace particles
+{
+namespace manipulators
+{
+
+template<typename T_ParamClass, typename T_ValueFunctor, typename T_SpeciesType>
+struct SetAttributeImpl : private T_ValueFunctor
+{
+    typedef T_ParamClass ParamClass;
+    typedef T_SpeciesType SpeciesType;
+    typedef typename MakeIdentifier<SpeciesType>::type SpeciesName;
+
+    typedef T_ValueFunctor ValueFunctor;
+
+    HINLINE SetAttributeImpl(uint32_t currentStep)
+    {
+
+    }
+
+    template<typename T_Particle>
+    DINLINE void operator()(const DataSpace<simDim>& localCellIdx, T_Particle& particle, const  bool isParticle)
+    {
+        typedef typename SpeciesType::FrameType FrameType;
+
+        if (isParticle)
+        {
+            /** Number of bound electrons at initial state of the neutral atom */
+            const float_X protonNumber = GetAtomicNumbers<T_Particle>::type::numberOfProtons;
+
+            /* in this case: 'assign' the number of protons to the number of bound electrons
+             * \see particleConfig.param for the ValueFunctor */
+            ValueFunctor::operator()(particle[boundElectrons_], protonNumber);
+        }
+    }
+
+};
+
+} //namespace manipulators
+} //namespace particles
+} //namespace picongpu

src/picongpu/include/particles/manipulators/manipulators.def

@@ -28,3 +28,4 @@
 #include "particles/manipulators/IfRelativeGlobalPositionImpl.def"
 #include "particles/manipulators/CreateParticlesFromParticleImpl.def"
 #include "particles/manipulators/FreeImpl.def"
+#include "particles/manipulators/SetAttributeImpl.def"

src/picongpu/include/particles/manipulators/manipulators.hpp

@@ -27,3 +27,4 @@
 #include "particles/manipulators/IfRelativeGlobalPositionImpl.hpp"
 #include "particles/manipulators/CreateParticlesFromParticleImpl.hpp"
 #include "particles/manipulators/FreeImpl.hpp"
+#include "particles/manipulators/SetAttributeImpl.hpp"