[238868] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2012 University of Bonn. All rights reserved.
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| 5 | *
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| 6 | *
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| 7 | * This file is part of MoleCuilder.
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| 8 | *
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| 9 | * MoleCuilder is free software: you can redistribute it and/or modify
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| 10 | * it under the terms of the GNU General Public License as published by
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| 11 | * the Free Software Foundation, either version 2 of the License, or
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| 12 | * (at your option) any later version.
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| 13 | *
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| 14 | * MoleCuilder is distributed in the hope that it will be useful,
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| 15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 17 | * GNU General Public License for more details.
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| 18 | *
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| 19 | * You should have received a copy of the GNU General Public License
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| 20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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| 21 | */
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| 22 |
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| 23 | /*
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| 24 | * InterfaceVMGDebugGridJob.cpp
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| 25 | *
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| 26 | * Created on: 10.06.2012
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| 27 | * Author: Frederik Heber
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| 28 | */
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| 29 |
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| 30 | #ifdef HAVE_CONFIG_H
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| 31 | #include <config.h>
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| 32 | #endif
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| 33 |
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| 34 | #ifdef HAVE_MPI
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| 35 | #include "mpi.h"
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| 36 | #endif
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| 37 |
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| 38 | #include "base/vector.hpp"
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| 39 | #include "base/math.hpp"
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| 40 | #include "comm/comm.hpp"
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| 41 | #include "grid/grid.hpp"
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| 42 | #include "grid/multigrid.hpp"
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| 43 | #include "mg.hpp"
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| 44 |
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| 45 | #include "InterfaceVMGDebugGridJob.hpp"
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| 46 |
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| 47 | #include "CodePatterns/MemDebug.hpp"
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| 48 |
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| 49 | #include <cmath>
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| 50 | #include <iostream>
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| 51 |
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| 52 | #include "CodePatterns/Log.hpp"
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| 53 |
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[b123a5] | 54 | #include "Jobs/WindowGrid_converter.hpp"
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[238868] | 55 |
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| 56 | using namespace VMG;
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| 57 | using VMGInterfaces::InterfaceVMGDebugGridJob;
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| 58 |
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| 59 | InterfaceVMGDebugGridJob::InterfaceVMGDebugGridJob(
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[b123a5] | 60 | const SamplingGrid &_sampled_input,
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[238868] | 61 | VMG::Boundary boundary,
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| 62 | int levelMin,
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| 63 | int levelMax,
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| 64 | const VMG::Vector &box_begin,
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| 65 | vmg_float box_end,
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| 66 | const int& near_field_cells,
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| 67 | int coarseningSteps,
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| 68 | double alpha) :
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| 69 | VMG::Interface(boundary, levelMin, levelMax,
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| 70 | box_begin, box_end, coarseningSteps, alpha),
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| 71 | sampled_input(_sampled_input),
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| 72 | level(levelMax)
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| 73 | {
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| 74 | }
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| 75 |
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| 76 | void InterfaceVMGDebugGridJob::ImportRightHandSide(Multigrid& multigrid)
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| 77 | {
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| 78 | Index i;
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| 79 | Vector pos;
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| 80 | // VMG::TempGrid *temp_grid = new VMG::TempGrid(129, 0, 0., 1.);
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| 81 |
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| 82 | Grid& grid = multigrid(multigrid.MaxLevel());
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| 83 | //grid.ClearBoundary(); // we don't have a boundary under periodic boundary conditions
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| 84 |
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| 85 | // print debugging info on grid size
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| 86 | LOG(1, "INFO: Mesh has extent " << grid.Extent().MeshWidth() << ".");
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| 87 | const int gridpoints = pow(2, level);
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| 88 | LOG(1, "INFO: gridpoints on finest level are " << gridpoints << ".");
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| 89 | LOG(1, "INFO: "
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| 90 | << "X in [" << grid.Local().Begin().X() << "," << grid.Local().End().X() << "],"
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| 91 | << "Y in [" << grid.Local().Begin().Y() << "," << grid.Local().End().Y() << "],"
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| 92 | << "Z in [" << grid.Local().Begin().Z() << "," << grid.Local().End().Z() << "].");
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| 93 |
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| 94 | // add sampled grid points to grid
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[b123a5] | 95 | WindowGrid_converter::addWindowOntoGrid(
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| 96 | grid,
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| 97 | sampled_input,
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| 98 | -1.);
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[238868] | 99 |
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| 100 | // print electron grid to vtk
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| 101 | Comm& comm = *MG::GetComm();
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| 102 | comm.PrintGrid(grid, "Sampled Grid");
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| 103 | }
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| 104 |
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| 105 | void InterfaceVMGDebugGridJob::ExportSolution(Grid& grid)
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| 106 | {
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| 107 | // we don't solve anything, hence nothing to do here
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| 108 | }
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