/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2012 University of Bonn. All rights reserved.
*
*
* This file is part of MoleCuilder.
*
* MoleCuilder 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.
*
* MoleCuilder 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 MoleCuilder. If not, see .
*/
/*
* InterfaceVMGJob.cpp
*
* Created on: 10.06.2012
* Author: Frederik Heber
*/
#ifdef HAVE_CONFIG_H
#include
#endif
#include "CodePatterns/MemDebug.hpp"
#include
#include
#include "CodePatterns/Log.hpp"
#include "base/vector.hpp"
#include "grid/grid.hpp"
#include "grid/multigrid.hpp"
#include "InterfaceVMGJob.hpp"
using namespace VMG;
using VMGInterfaces::InterfaceVMGJob;
void InterfaceVMGJob::ImportRightHandSide(Multigrid& multigrid)
{
Index i;
Vector pos;
// VMG::TempGrid *temp_grid = new VMG::TempGrid(129, 0, 0., 1.);
Grid& grid = multigrid(multigrid.MaxLevel());
grid.ClearBoundary();
const Index begin_local = grid.Global().LocalBegin() - grid.Local().HaloSize1();
LOG(1, "INFO: Mesh has extent " << grid.Extent().MeshWidth() << ".");
const int gridpoints = pow(2, level);
LOG(1, "INFO: gridpoints on finest level are " << gridpoints << ".");
assert( (grid.Extent().MeshWidth().X() * gridpoints) == 1 );
assert( (grid.Extent().MeshWidth().Y() * gridpoints) == 1 );
assert( (grid.Extent().MeshWidth().Z() * gridpoints) == 1 );
LOG(1, "INFO: "
<< "X in [" << grid.Local().Begin().X() << "," << grid.Local().End().X() << "],"
<< "Y in [" << grid.Local().Begin().Y() << "," << grid.Local().End().Y() << "],"
<< "Z in [" << grid.Local().Begin().Z() << "," << grid.Local().End().Z() << "].");
std::vector::const_iterator sample_iter = sampled_input.begin();
for (i.X()=grid.Local().Begin().X(); i.X()(begin_local + i);
// R.x() = pos.X();
// R.y() = pos.Y();
// R.z() = pos.Z();
grid(i) = *sample_iter; //temp_grid(i);
++sample_iter;
}
assert( sample_iter == sampled_input.end() );
Grid::iterator grid_iter;
double charge_sum = 0.0;
for (grid_iter=grid.Iterators().Local().Begin(); grid_iter!=grid.Iterators().Local().End(); ++grid_iter)
charge_sum += grid.GetVal(*grid_iter);
// charge_sum = MG::GetComm()->GlobalSum(charge_sum);
// comm.PrintStringOnce("Grid charge sum: %e", charge_sum);
std::cout << "Grid charge sum: " << charge_sum << std::endl;
// delete temp_grid;
}
void InterfaceVMGJob::ExportSolution(Grid& grid)
{
// grid now contains the sough-for potential
const Index begin_local = grid.Global().LocalBegin() - grid.Local().HaloSize1();
Index i;
sampled_output.clear();
for (i.X()=grid.Local().Begin().X(); i.X()GlobalSum(potential_sum);
// comm.PrintStringOnce("Grid potential sum: %e", potential_sum);
std::cout << "Grid potential sum: " << potential_sum << std::endl;
//Particle::CommMPI& comm = *dynamic_cast(MG::GetComm());
//e_long = comm.GlobalSumRoot(e_long);
}