1 | # PLEASE adhere to the alphabetical ordering in this Makefile!
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2 | # Also indentation by a single tab
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3 |
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4 | # this includes source files that need to be present at multiple points
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5 | HELPERSOURCE = \
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6 | Helpers/Assert.cpp \
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7 | Helpers/MemDebug.cpp
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8 |
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9 | ATOMSOURCE = \
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10 | atom.cpp \
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11 | atom_atominfo.cpp \
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12 | atom_bondedparticle.cpp \
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13 | atom_bondedparticleinfo.cpp \
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14 | atom_graphnode.cpp \
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15 | atom_graphnodeinfo.cpp \
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16 | atom_particleinfo.cpp \
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17 | atom_trajectoryparticle.cpp \
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18 | atom_trajectoryparticleinfo.cpp
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19 | ATOMHEADER = \
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20 | atom.hpp \
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21 | atom_atominfo.hpp \
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22 | atom_bondedparticle.hpp \
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23 | atom_bondedparticleinfo.hpp \
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24 | atom_graphnode.hpp \
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25 | atom_graphnodeinfo.hpp \
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26 | atom_particleinfo.hpp \
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27 | atom_trajectoryparticle.hpp \
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28 | atom_trajectoryparticleinfo.hpp
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29 |
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30 | LINALGSOURCE = \
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31 | ${HELPERSOURCE} \
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32 | gslmatrix.cpp \
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33 | gslvector.cpp \
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34 | linearsystemofequations.cpp \
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35 | Space.cpp \
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36 | vector.cpp
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37 |
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38 | LINALGHEADER = gslmatrix.hpp \
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39 | gslvector.hpp \
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40 | linearsystemofequations.hpp \
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41 | Space.hpp \
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42 | vector.hpp
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43 |
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44 | ANALYSISSOURCE = \
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45 | analysis_bonds.cpp \
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46 | analysis_correlation.cpp
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47 | ANALYSISHEADER = \
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48 | analysis_bonds.hpp \
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49 | analysis_correlation.hpp
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50 |
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51 | ACTIONSSOURCE = Actions/Action.cpp \
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52 | ${ANALYSISACTIONSOURCE} \
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53 | ${ATOMACTIONSOURCE} \
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54 | ${CMDACTIONSOURCE} \
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55 | ${FRAGMENTATIONACTIONSOURCE} \
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56 | ${MOLECULEACTIONSOURCE} \
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57 | ${PARSERACTIONSOURCE} \
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58 | ${TESSELATIONACTIONSOURCE} \
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59 | ${WORLDACTIONSOURCE} \
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60 | Actions/ActionHistory.cpp \
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61 | Actions/ActionRegistry.cpp \
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62 | Actions/ActionSequence.cpp \
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63 | Actions/ErrorAction.cpp \
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64 | Actions/MakroAction.cpp \
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65 | Actions/ManipulateAtomsProcess.cpp \
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66 | Actions/MapOfActions.cpp \
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67 | Actions/MethodAction.cpp \
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68 | Actions/Process.cpp
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69 |
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70 | ACTIONSHEADER = Actions/Action.hpp \
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71 | ${ANALYSISACTIONHEADER} \
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72 | ${ATOMACTIONHEADER} \
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73 | ${CMDACTIONHEADER} \
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74 | ${FRAGMENTATIONACTIONHEADER} \
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75 | ${MOLECULEACTIONHEADER} \
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76 | ${PARSERACTIONHEADER} \
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77 | ${TESSELATIONACTIONHEADER} \
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78 | ${WORLDACTIONHEADER} \
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79 | Actions/ActionHistory.hpp \
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80 | Actions/ActionRegistry.hpp \
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81 | Actions/ActionSequence.hpp \
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82 | Actions/Calculation.hpp \
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83 | Actions/Calculation_impl.hpp \
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84 | Actions/ErrorAction.hpp \
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85 | Actions/MakroAction.hpp \
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86 | Actions/ManipulateAtomsProcess.hpp \
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87 | Actions/MapOfActions.hpp \
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88 | Actions/MethodAction.hpp \
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89 | Actions/Process.hpp
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90 |
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91 | ANALYSISACTIONSOURCE = \
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92 | Actions/AnalysisAction/MolecularVolumeAction.cpp \
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93 | Actions/AnalysisAction/PairCorrelationAction.cpp \
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94 | Actions/AnalysisAction/PairCorrelationToPointAction.cpp \
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95 | Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp \
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96 | Actions/AnalysisAction/PrincipalAxisSystemAction.cpp
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97 | ANALYSISACTIONHEADER = \
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98 | Actions/AnalysisAction/MolecularVolumeAction.hpp \
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99 | Actions/AnalysisAction/PairCorrelationAction.hpp \
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100 | Actions/AnalysisAction/PairCorrelationToPointAction.hpp \
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101 | Actions/AnalysisAction/PairCorrelationToSurfaceAction.hpp \
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102 | Actions/AnalysisAction/PrincipalAxisSystemAction.hpp
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103 |
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104 | ATOMACTIONSOURCE = \
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105 | Actions/AtomAction/AddAction.cpp \
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106 | Actions/AtomAction/ChangeElementAction.cpp \
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107 | Actions/AtomAction/RemoveAction.cpp
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108 | ATOMACTIONHEADER = \
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109 | Actions/AtomAction/AddAction.hpp \
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110 | Actions/AtomAction/ChangeElementAction.hpp \
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111 | Actions/AtomAction/RemoveAction.cpp
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112 |
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113 | CMDACTIONSOURCE = \
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114 | Actions/CmdAction/BondLengthTableAction.cpp \
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115 | Actions/CmdAction/ElementDbAction.cpp \
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116 | Actions/CmdAction/FastParsingAction.cpp \
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117 | Actions/CmdAction/HelpAction.cpp \
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118 | Actions/CmdAction/VerboseAction.cpp \
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119 | Actions/CmdAction/VersionAction.cpp
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120 | CMDACTIONHEADER = \
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121 | Actions/CmdAction/BondLengthTableAction.hpp \
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122 | Actions/CmdAction/ElementDbAction.hpp \
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123 | Actions/CmdAction/FastParsingAction.hpp \
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124 | Actions/CmdAction/HelpAction.hpp \
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125 | Actions/CmdAction/VerboseAction.hpp \
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126 | Actions/CmdAction/VersionAction.hpp
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127 |
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128 | FRAGMENTATIONACTIONSOURCE = \
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129 | Actions/FragmentationAction/DepthFirstSearchAction.cpp \
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130 | Actions/FragmentationAction/FragmentationAction.cpp \
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131 | Actions/FragmentationAction/SubgraphDissectionAction.cpp
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132 | FRAGMENTATIONACTIONHEADER = \
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133 | Actions/FragmentationAction/DepthFirstSearchAction.hpp \
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134 | Actions/FragmentationAction/FragmentationAction.hpp \
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135 | Actions/FragmentationAction/SubgraphDissectionAction.hpp
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136 |
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137 | MOLECULEACTIONSOURCE = \
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138 | Actions/MoleculeAction/BondFileAction.cpp \
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139 | Actions/MoleculeAction/ChangeNameAction.cpp \
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140 | Actions/MoleculeAction/FillWithMoleculeAction.cpp \
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141 | Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp \
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142 | Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp \
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143 | Actions/MoleculeAction/SaveAdjacencyAction.cpp \
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144 | Actions/MoleculeAction/SaveBondsAction.cpp \
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145 | Actions/MoleculeAction/SaveTemperatureAction.cpp \
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146 | Actions/MoleculeAction/SuspendInWaterAction.cpp \
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147 | Actions/MoleculeAction/TranslateAction.cpp \
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148 | Actions/MoleculeAction/VerletIntegrationAction.cpp
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149 | MOLECULEACTIONHEADER = \
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150 | Actions/MoleculeAction/BondFileAction.hpp \
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151 | Actions/MoleculeAction/ChangeNameAction.hpp \
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152 | Actions/MoleculeAction/FillWithMoleculeAction.hpp \
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153 | Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp \
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154 | Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp \
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155 | Actions/MoleculeAction/SaveAdjacencyAction.hpp \
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156 | Actions/MoleculeAction/SaveBondsAction.hpp \
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157 | Actions/MoleculeAction/SaveTemperatureAction.hpp \
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158 | Actions/MoleculeAction/SuspendInWaterAction.hpp \
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159 | Actions/MoleculeAction/TranslateAction.hpp \
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160 | Actions/MoleculeAction/VerletIntegrationAction.hpp
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161 |
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162 | PARSERACTIONSOURCE = \
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163 | Actions/ParserAction/LoadXyzAction.cpp \
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164 | Actions/ParserAction/SaveXyzAction.cpp
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165 | PARSERACTIONHEADER = \
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166 | Actions/ParserAction/LoadXyzAction.hpp \
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167 | Actions/ParserAction/SaveXyzAction.hpp
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168 |
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169 | TESSELATIONACTIONSOURCE = \
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170 | Actions/TesselationAction/ConvexEnvelopeAction.cpp \
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171 | Actions/TesselationAction/NonConvexEnvelopeAction.cpp
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172 | TESSELATIONACTIONHEADER = \
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173 | Actions/TesselationAction/ConvexEnvelopeAction.hpp \
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174 | Actions/TesselationAction/NonConvexEnvelopeAction.hpp
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175 |
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176 | WORLDACTIONSOURCE = \
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177 | Actions/WorldAction/AddEmptyBoundaryAction.cpp \
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178 | Actions/WorldAction/BoundInBoxAction.cpp \
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179 | Actions/WorldAction/CenterInBoxAction.cpp \
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180 | Actions/WorldAction/CenterOnEdgeAction.cpp \
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181 | Actions/WorldAction/ChangeBoxAction.cpp \
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182 | Actions/WorldAction/RemoveSphereOfAtomsAction.cpp \
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183 | Actions/WorldAction/RepeatBoxAction.cpp \
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184 | Actions/WorldAction/ScaleBoxAction.cpp \
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185 | Actions/WorldAction/SetDefaultNameAction.cpp \
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186 | Actions/WorldAction/SetGaussianBasisAction.cpp
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187 | WORLDACTIONHEADER = \
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188 | Actions/WorldAction/AddEmptyBoundaryAction.hpp \
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189 | Actions/WorldAction/BoundInBoxAction.hpp \
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190 | Actions/WorldAction/CenterInBoxAction.hpp \
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191 | Actions/WorldAction/CenterOnEdgeAction.hpp \
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192 | Actions/WorldAction/ChangeBoxAction.hpp \
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193 | Actions/WorldAction/RemoveSphereOfAtomsAction.hpp \
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194 | Actions/WorldAction/RepeatBoxAction.hpp \
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195 | Actions/WorldAction/ScaleBoxAction.hpp \
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196 | Actions/WorldAction/SetDefaultNameAction.hpp \
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197 | Actions/WorldAction/SetGaussianBasisAction.hpp
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198 |
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199 |
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200 |
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201 | PARSERSOURCE = \
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202 | Parser/ChangeTracker.cpp \
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203 | Parser/FormatParser.cpp \
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204 | Parser/TremoloParser.cpp \
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205 | Parser/XyzParser.cpp
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206 | PARSERHEADER = \
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207 | Parser/ChangeTracker.hpp \
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208 | Parser/FormatParser.hpp \
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209 | Parser/TremoloParser.hpp \
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210 | Parser/XyzParser.hpp
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211 |
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212 | PATTERNSOURCE = \
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213 | Patterns/Observer.cpp
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214 | PATTERNHEADER = \
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215 | Patterns/Cacheable.hpp \
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216 | Patterns/Observer.hpp \
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217 | Patterns/Singleton.hpp
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218 |
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219 | # Below is all for the User Interface
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220 |
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221 | VIEWSOURCE = \
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222 | Views/View.cpp \
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223 | Views/StringView.cpp \
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224 | Views/MethodStringView.cpp \
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225 | Views/StreamStringView.cpp
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226 | VIEWHEADER = \
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227 | Views/View.hpp \
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228 | Views/StringView.hpp \
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229 | Views/MethodStringView.hpp \
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230 | Views/StreamStringView.hpp
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231 |
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232 | MENUSOURCE = \
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233 | Menu/Menu.cpp \
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234 | Menu/TextMenu.cpp \
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235 | Menu/MenuItem.cpp \
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236 | Menu/SubMenuItem.cpp \
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237 | Menu/ActionMenuItem.cpp \
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238 | Menu/SeperatorItem.cpp \
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239 | Menu/DisplayMenuItem.cpp
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240 |
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241 | MENUHEADER = \
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242 | Menu/Menu.hpp \
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243 | Menu/TextMenu.hpp \
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244 | Menu/MenuItem.hpp \
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245 | Menu/SubMenuItem.hpp \
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246 | Menu/ActionMenuItem.hpp \
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247 | Menu/SeperatorItem.hpp \
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248 | Menu/DisplayMenuItem.hpp
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249 |
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250 | UISOURCE = \
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251 | ${ACTIONSSOURCE} \
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252 | ${COMMANDLINEUISOURCE} \
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253 | ${MENUSOURCE} \
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254 | ${TEXTUISOURCE} \
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255 | ${VIEWSOURCE} \
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256 | UIElements/Dialog.cpp \
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257 | UIElements/MainWindow.cpp \
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258 | UIElements/UIFactory.cpp
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259 |
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260 | UIHEADER = \
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261 | ${ACTIONSHEADER} \
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262 | ${COMMANDLINEUIHEADER} \
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263 | ${MENUHEADER} \
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264 | ${TEXTUIHEADER} \
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265 | ${VIEWHEADER} \
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266 | UIElements/Dialog.hpp \
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267 | UIElements/MainWindow.hpp \
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268 | UIElements/UIFactory.hpp
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269 |
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270 | TEXTUISOURCE = \
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271 | UIElements/TextDialog.cpp \
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272 | UIElements/TextStatusIndicator.cpp \
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273 | UIElements/TextUIFactory.cpp \
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274 | UIElements/TextWindow.cpp
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275 | TEXTUIHEADER = \
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276 | UIElements/TextDialog.hpp \
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277 | UIElements/TextStatusIndicator.hpp \
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278 | UIElements/TextUIFactory.hpp \
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279 | UIElements/TextWindow.hpp
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280 |
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281 | COMMANDLINEUISOURCE = \
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282 | UIElements/CommandLineDialog.cpp \
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283 | UIElements/CommandLineStatusIndicator.cpp \
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284 | UIElements/CommandLineUIFactory.cpp \
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285 | UIElements/CommandLineWindow.cpp
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286 | COMMANDLINEUIHEADER = \
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287 | UIElements/CommandLineDialog.hpp \
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288 | UIElements/CommandLineStatusIndicator.hpp \
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289 | UIElements/CommandLineUIFactory.hpp \
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290 | UIElements/CommandLineWindow.hpp
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291 |
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292 | # all these files are only used for legacy reasons while the transition is in progress
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293 | # they are only needed to keep the program usable at any point of the transition and will be
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294 | # deleted once everything is fully refactored
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295 | LEGACYSOURCE = Legacy/oldmenu.cpp
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296 | LEGACYHEADER = Legacy/oldmenu.hpp
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297 |
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298 | DESCRIPTORSOURCE = Descriptors/AtomDescriptor.cpp \
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299 | Descriptors/AtomIdDescriptor.cpp \
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300 | Descriptors/AtomTypeDescriptor.cpp \
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301 | Descriptors/MoleculeDescriptor.cpp \
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302 | Descriptors/MoleculeIdDescriptor.cpp
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303 |
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304 |
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305 | DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \
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306 | Descriptors/AtomIdDescriptor.hpp \
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307 | Descriptors/AtomTypeDescriptor.hpp \
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308 | Descriptors/MoleculeDescriptor.hpp \
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309 | Descriptors/MoleculeIdDescriptor.hpp
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310 |
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311 | EXCEPTIONSOURCE = Exceptions/CustomException.cpp \
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312 | Exceptions/LinearDependenceException.cpp \
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313 | Exceptions/MathException.cpp \
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314 | Exceptions/ZeroVectorException.cpp
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315 |
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316 | EXCEPTIONHEADER = Exceptions/CustomException.hpp \
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317 | Exceptions/LinearDependenceException.hpp \
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318 | Exceptions/MathException.hpp \
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319 | Exceptions/ZeroVectorException.hpp
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320 |
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321 | SOURCE = \
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322 | ${ANALYSISSOURCE} \
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323 | ${ATOMSOURCE} \
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324 | ${PATTERNSOURCE} \
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325 | ${PARSERSOURCE} \
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326 | ${UISOURCE} \
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327 | ${DESCRIPTORSOURCE} \
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328 | ${HELPERSOURCE} \
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329 | ${LEGACYSOURCE} \
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330 | ${EXCEPTIONSOURCE} \
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331 | bond.cpp \
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332 | bondgraph.cpp \
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333 | boundary.cpp \
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334 | CommandLineParser.cpp \
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335 | config.cpp \
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336 | element.cpp \
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337 | ellipsoid.cpp \
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338 | errorlogger.cpp \
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339 | graph.cpp \
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340 | helpers.cpp \
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341 | info.cpp \
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342 | leastsquaremin.cpp \
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343 | Line.cpp \
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344 | linkedcell.cpp \
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345 | lists.cpp \
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346 | log.cpp \
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347 | logger.cpp \
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348 | memoryusageobserver.cpp \
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349 | moleculelist.cpp \
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350 | molecule.cpp \
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351 | molecule_dynamics.cpp \
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352 | molecule_fragmentation.cpp \
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353 | molecule_geometry.cpp \
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354 | molecule_graph.cpp \
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355 | molecule_pointcloud.cpp \
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356 | parser.cpp \
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357 | periodentafel.cpp \
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358 | Plane.cpp \
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359 | tesselation.cpp \
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360 | tesselationhelpers.cpp \
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361 | triangleintersectionlist.cpp \
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362 | verbose.cpp \
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363 | vector_ops.cpp \
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364 | World.cpp
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365 |
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366 | HEADER = \
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367 | ${ANALYSISHEADER} \
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368 | ${ATOMHEADER} \
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369 | ${PARSERHEADER} \
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370 | ${PATTERNHEADER} \
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371 | ${UIHEADER} \
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372 | ${DESCRIPTORHEADER} \
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373 | ${EXCEPTIONHEADER} \
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374 | ${LEGACYHEADER} \
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375 | bond.hpp \
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376 | bondgraph.hpp \
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377 | boundary.hpp \
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378 | CommandLineParser.hpp \
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379 | config.hpp \
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380 | defs.hpp \
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381 | element.hpp \
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382 | ellipsoid.hpp \
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383 | errorlogger.hpp \
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384 | graph.hpp \
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385 | helpers.hpp \
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386 | info.hpp \
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387 | leastsquaremin.hpp \
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388 | Line.hpp \
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389 | linkedcell.hpp \
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390 | lists.hpp \
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391 | log.hpp \
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392 | logger.hpp \
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393 | memoryallocator.hpp \
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394 | memoryusageobserver.hpp \
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395 | molecule.hpp \
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396 | molecule_template.hpp \
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397 | parser.hpp \
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398 | periodentafel.hpp \
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399 | Plane.hpp \
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400 | stackclass.hpp \
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401 | tesselation.hpp \
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402 | tesselationhelpers.hpp \
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403 | triangleintersectionlist.hpp \
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404 | verbose.hpp \
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405 | vector_ops.hpp \
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406 | World.hpp
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407 |
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408 | BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB)
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409 | INCLUDES = -I$(top_srcdir)/src/unittests
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410 |
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411 | noinst_LIBRARIES = libmolecuilder.a libgslwrapper.a
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412 | bin_PROGRAMS = molecuilder joiner analyzer
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413 | molecuilderdir = ${bindir}
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414 | libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER}
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415 | libgslwrapper_a_SOURCES = ${LINALGSOURCE} ${LINALGHEADER}
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416 | molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
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417 | molecuilder_LDFLAGS = $(BOOST_LDFLAGS)
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418 | molecuilder_SOURCES = builder.cpp
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419 | molecuilder_LDADD = libmolecuilder.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB}
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420 | joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
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421 | joiner_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
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422 | analyzer_SOURCES = analyzer.cpp datacreator.cpp parser.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
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423 | analyzer_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
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424 |
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425 | FORCE:
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426 | $(srcdir)/.git-version: FORCE
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427 | @if (test -d $(top_srcdir)/../.git && cd $(srcdir) && git describe HEAD) > .git-version-t 2>/dev/null \
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428 | && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
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429 | mv -f .git-version-t $(srcdir)/.git-version; \
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430 | else \
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431 | rm -f .git-version-t; \
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432 | fi
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433 |
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434 | EXTRA_DIST = $(srcdir)/.git-version
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435 |
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436 | $(srcdir)/version.c: $(srcdir)/.git-version
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437 | echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@
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438 |
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439 | molecuilder_SOURCES += $(srcdir)/version.c
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