| [efc3cb] | 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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| [5079a0] | 4 | SUBDIRS = Actions UIElements
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| 5 |
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| [0a4f7f] | 6 | # this includes source files that need to be present at multiple points
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| [efc3cb] | 7 | HELPERSOURCE = \
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| 8 | Helpers/Assert.cpp \
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| 9 | Helpers/MemDebug.cpp
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| [0a4f7f] | 10 |
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| [efc3cb] | 11 | ATOMSOURCE = \
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| 12 | atom.cpp \
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| 13 | atom_atominfo.cpp \
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| 14 | atom_bondedparticle.cpp \
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| 15 | atom_bondedparticleinfo.cpp \
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| 16 | atom_graphnode.cpp \
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| 17 | atom_graphnodeinfo.cpp \
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| 18 | atom_particleinfo.cpp \
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| 19 | atom_trajectoryparticle.cpp \
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| 20 | atom_trajectoryparticleinfo.cpp
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| 21 | ATOMHEADER = \
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| 22 | atom.hpp \
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| 23 | atom_atominfo.hpp \
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| 24 | atom_bondedparticle.hpp \
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| 25 | atom_bondedparticleinfo.hpp \
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| 26 | atom_graphnode.hpp \
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| 27 | atom_graphnodeinfo.hpp \
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| 28 | atom_particleinfo.hpp \
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| 29 | atom_trajectoryparticle.hpp \
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| 30 | atom_trajectoryparticleinfo.hpp
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| 31 |
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| [325390] | 32 | EXCEPTIONSOURCE = Exceptions/CustomException.cpp \
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| 33 | Exceptions/LinearDependenceException.cpp \
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| 34 | Exceptions/MathException.cpp \
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| 35 | Exceptions/NotInvertibleException.cpp \
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| 36 | Exceptions/SkewException.cpp \
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| 37 | Exceptions/ZeroVectorException.cpp
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| 38 |
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| 39 | EXCEPTIONHEADER = Exceptions/CustomException.hpp \
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| 40 | Exceptions/LinearDependenceException.hpp \
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| 41 | Exceptions/MathException.hpp \
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| 42 | Exceptions/NotInvertibleException.hpp \
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| 43 | Exceptions/SkewException.hpp \
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| 44 | Exceptions/ZeroVectorException.hpp
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| 45 |
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| 46 | # TODO: Move Exceptionsource back down, when transition is done
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| [efc3cb] | 47 | LINALGSOURCE = \
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| [325390] | 48 | ${EXCEPTIONSOURCE} \
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| [efc3cb] | 49 | ${HELPERSOURCE} \
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| 50 | gslmatrix.cpp \
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| 51 | gslvector.cpp \
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| 52 | linearsystemofequations.cpp \
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| [325390] | 53 | Matrix.cpp \
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| [efc3cb] | 54 | Space.cpp \
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| 55 | vector.cpp
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| [325390] | 56 |
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| [0a4f7f] | 57 |
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| [325390] | 58 | LINALGHEADER = \
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| 59 | ${EXCEPTIONHEADER} \
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| 60 | gslmatrix.hpp \
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| [efc3cb] | 61 | gslvector.hpp \
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| 62 | linearsystemofequations.hpp \
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| [325390] | 63 | Matrix.hpp \
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| [efc3cb] | 64 | Space.hpp \
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| 65 | vector.hpp
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| [0a4f7f] | 66 |
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| [efc3cb] | 67 | ANALYSISSOURCE = \
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| 68 | analysis_bonds.cpp \
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| 69 | analysis_correlation.cpp
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| 70 | ANALYSISHEADER = \
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| 71 | analysis_bonds.hpp \
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| 72 | analysis_correlation.hpp
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| [96c961] | 73 |
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| [5079a0] | 74 | ACTIONSSOURCE = \
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| 75 | Actions/Action.cpp \
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| [efc3cb] | 76 | Actions/ActionHistory.cpp \
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| 77 | Actions/ActionRegistry.cpp \
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| 78 | Actions/ActionSequence.cpp \
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| 79 | Actions/ErrorAction.cpp \
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| 80 | Actions/MakroAction.cpp \
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| 81 | Actions/ManipulateAtomsProcess.cpp \
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| 82 | Actions/MethodAction.cpp \
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| 83 | Actions/Process.cpp
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| 84 |
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| [5079a0] | 85 | ACTIONSHEADER = \
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| 86 | Actions/Action.hpp \
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| [efc3cb] | 87 | Actions/ActionHistory.hpp \
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| 88 | Actions/ActionRegistry.hpp \
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| 89 | Actions/ActionSequence.hpp \
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| 90 | Actions/Calculation.hpp \
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| 91 | Actions/Calculation_impl.hpp \
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| 92 | Actions/ErrorAction.hpp \
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| 93 | Actions/MakroAction.hpp \
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| 94 | Actions/ManipulateAtomsProcess.hpp \
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| [97ebf8] | 95 | Actions/MapOfActions.hpp \
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| [efc3cb] | 96 | Actions/MethodAction.hpp \
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| 97 | Actions/Process.hpp
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| 98 |
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| [03bb99] | 99 |
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| [efc3cb] | 100 | PARSERSOURCE = \
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| 101 | Parser/ChangeTracker.cpp \
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| 102 | Parser/FormatParser.cpp \
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| [52baf9] | 103 | Parser/FormatParserStorage.cpp \
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| [43dad6] | 104 | Parser/MpqcParser.cpp \
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| 105 | Parser/PcpParser.cpp \
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| [efc3cb] | 106 | Parser/TremoloParser.cpp \
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| 107 | Parser/XyzParser.cpp
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| [88104f] | 108 |
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| [efc3cb] | 109 | PARSERHEADER = \
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| 110 | Parser/ChangeTracker.hpp \
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| 111 | Parser/FormatParser.hpp \
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| [52baf9] | 112 | Parser/FormatParserStorage.hpp \
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| [43dad6] | 113 | Parser/MpqcParser.hpp \
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| 114 | Parser/PcpParser.hpp \
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| [efc3cb] | 115 | Parser/TremoloParser.hpp \
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| 116 | Parser/XyzParser.hpp
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| 117 |
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| 118 | PATTERNSOURCE = \
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| 119 | Patterns/Observer.cpp
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| 120 | PATTERNHEADER = \
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| 121 | Patterns/Cacheable.hpp \
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| 122 | Patterns/Observer.hpp \
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| 123 | Patterns/Singleton.hpp
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| [997784] | 124 |
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| 125 | SHAPESOURCE = \
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| [e38447] | 126 | Shapes/BaseShapes.cpp \
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| [e09b70] | 127 | Shapes/Shape.cpp \
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| 128 | Shapes/ShapeOps.cpp
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| [997784] | 129 | SHAPEHEADER = \
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| [e38447] | 130 | Shapes/BaseShapes.hpp \
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| [e09b70] | 131 | Shapes/Shape.hpp \
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| 132 | Shapes/ShapeOps.hpp
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| [997784] | 133 |
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| [efc3cb] | 134 |
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| [57adc7] | 135 | DESCRIPTORSOURCE = Descriptors/AtomDescriptor.cpp \
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| [efc3cb] | 136 | Descriptors/AtomIdDescriptor.cpp \
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| 137 | Descriptors/AtomTypeDescriptor.cpp \
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| 138 | Descriptors/MoleculeDescriptor.cpp \
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| [e05826] | 139 | Descriptors/MoleculeIdDescriptor.cpp \
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| [e6317b] | 140 | Descriptors/MoleculeNameDescriptor.cpp \
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| [e30ce8] | 141 | Descriptors/MoleculePtrDescriptor.cpp
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| [57adc7] | 142 |
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| [75ac0c] | 143 |
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| [57adc7] | 144 | DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \
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| [efc3cb] | 145 | Descriptors/AtomIdDescriptor.hpp \
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| 146 | Descriptors/AtomTypeDescriptor.hpp \
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| 147 | Descriptors/MoleculeDescriptor.hpp \
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| [e30ce8] | 148 | Descriptors/MoleculeIdDescriptor.hpp \
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| [31b09e] | 149 | Descriptors/MoleculeNameDescriptor.hpp \
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| [e30ce8] | 150 | Descriptors/MoleculePtrDescriptor.hpp
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| [efc3cb] | 151 |
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| [325390] | 152 | #TODO: Exceptionsource should go here, when the transisition makes this possible
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| [efc3cb] | 153 | SOURCE = \
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| 154 | ${ANALYSISSOURCE} \
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| [5079a0] | 155 | ${ACTIONSSOURCE} \
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| [efc3cb] | 156 | ${ATOMSOURCE} \
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| 157 | ${PATTERNSOURCE} \
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| 158 | ${PARSERSOURCE} \
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| [997784] | 159 | ${SHAPESOURCE} \
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| [efc3cb] | 160 | ${DESCRIPTORSOURCE} \
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| 161 | ${HELPERSOURCE} \
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| 162 | bond.cpp \
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| 163 | bondgraph.cpp \
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| 164 | boundary.cpp \
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| [83c09a] | 165 | Box.cpp \
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| [c6efc1] | 166 | CommandLineParser.cpp \
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| [efc3cb] | 167 | config.cpp \
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| [88104f] | 168 | ConfigFileBuffer.cpp \
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| [efc3cb] | 169 | element.cpp \
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| [5079a0] | 170 | elements_db.cpp \
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| [efc3cb] | 171 | ellipsoid.cpp \
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| 172 | errorlogger.cpp \
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| 173 | graph.cpp \
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| 174 | helpers.cpp \
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| 175 | info.cpp \
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| 176 | leastsquaremin.cpp \
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| 177 | Line.cpp \
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| 178 | linkedcell.cpp \
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| 179 | log.cpp \
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| 180 | logger.cpp \
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| 181 | moleculelist.cpp \
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| 182 | molecule.cpp \
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| 183 | molecule_dynamics.cpp \
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| 184 | molecule_fragmentation.cpp \
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| 185 | molecule_geometry.cpp \
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| 186 | molecule_graph.cpp \
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| 187 | molecule_pointcloud.cpp \
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| 188 | parser.cpp \
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| 189 | periodentafel.cpp \
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| 190 | Plane.cpp \
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| [1024cb] | 191 | Space.cpp \
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| [efc3cb] | 192 | tesselation.cpp \
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| 193 | tesselationhelpers.cpp \
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| [a3fded] | 194 | ThermoStatContainer.cpp \
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| [efc3cb] | 195 | triangleintersectionlist.cpp \
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| [1024cb] | 196 | vector.cpp \
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| [efc3cb] | 197 | vector_ops.cpp \
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| [1024cb] | 198 | verbose.cpp \
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| [efc3cb] | 199 | World.cpp
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| [5f612ee] | 200 |
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| 201 | HEADER = \
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| [efc3cb] | 202 | ${ANALYSISHEADER} \
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| [5079a0] | 203 | ${ACTIONSHEADER} \
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| [efc3cb] | 204 | ${ATOMHEADER} \
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| 205 | ${PARSERHEADER} \
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| 206 | ${PATTERNHEADER} \
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| [997784] | 207 | ${SHAPEHEADER} \
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| [efc3cb] | 208 | ${DESCRIPTORHEADER} \
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| 209 | bond.hpp \
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| 210 | bondgraph.hpp \
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| 211 | boundary.hpp \
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| [83c09a] | 212 | Box.hpp \
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| [c6efc1] | 213 | CommandLineParser.hpp \
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| [efc3cb] | 214 | config.hpp \
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| [88104f] | 215 | ConfigFileBuffer.hpp \
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| [efc3cb] | 216 | defs.hpp \
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| 217 | element.hpp \
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| [5079a0] | 218 | elements_db.hpp \
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| [efc3cb] | 219 | ellipsoid.hpp \
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| 220 | errorlogger.hpp \
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| 221 | graph.hpp \
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| 222 | helpers.hpp \
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| 223 | info.hpp \
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| 224 | leastsquaremin.hpp \
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| 225 | Line.hpp \
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| 226 | linkedcell.hpp \
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| 227 | lists.hpp \
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| 228 | log.hpp \
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| 229 | logger.hpp \
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| 230 | molecule.hpp \
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| 231 | molecule_template.hpp \
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| 232 | parser.hpp \
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| 233 | periodentafel.hpp \
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| 234 | Plane.hpp \
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| 235 | stackclass.hpp \
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| 236 | tesselation.hpp \
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| 237 | tesselationhelpers.hpp \
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| [a3fded] | 238 | ThermoStatContainer.hpp \
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| [efc3cb] | 239 | triangleintersectionlist.hpp \
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| 240 | verbose.hpp \
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| 241 | vector_ops.hpp \
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| 242 | World.hpp
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| [ef9df36] | 243 |
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| [920c70] | 244 | # the following files are no longer used:
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| 245 | # memoryallocator.hpp \
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| [1024cb] | 246 | # memoryallocator.cpp \
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| [920c70] | 247 | # memoryusageobserver.hpp \
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| 248 | # memoryusageobserver.cpp
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| 249 |
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| [fa861b] | 250 | BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB)
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| [5079a0] | 251 | INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
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| [ef9df36] | 252 |
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| [35b698] | 253 | noinst_LIBRARIES = libmolecuilder.a libgslwrapper.a libparser.a
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| [ef9df36] | 254 | bin_PROGRAMS = molecuilder joiner analyzer
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| [14de469] | 255 | molecuilderdir = ${bindir}
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| [b9907c] | 256 | libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER}
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| [35b698] | 257 | libparser_a_SOURCES = ${PARSERSOURCE} ${PARSERHEADER}
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| [9fb860] | 258 | libgslwrapper_a_SOURCES = ${LINALGSOURCE} ${LINALGHEADER}
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| [e58856b] | 259 | molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
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| [4d9c01] | 260 | molecuilder_LDFLAGS = $(BOOST_LDFLAGS)
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| [b9907c] | 261 | molecuilder_SOURCES = builder.cpp
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| [35b698] | 262 | molecuilder_LDADD = UIElements/libMolecuilderUI.a Actions/libMolecuilderActions.a libmolecuilder.a libparser.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB}
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| [b9907c] | 263 | joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
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| [4d9c01] | 264 | joiner_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
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| [b9907c] | 265 | analyzer_SOURCES = analyzer.cpp datacreator.cpp parser.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
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| [4d9c01] | 266 | analyzer_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
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| [14de469] | 267 |
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| [a8eb4a] | 268 | FORCE:
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| 269 | $(srcdir)/.git-version: FORCE
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| [c135eb7] | 270 | @if (test -d $(top_srcdir)/../.git && cd $(srcdir) && git describe HEAD) > .git-version-t 2>/dev/null \
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| [a8eb4a] | 271 | && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
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| 272 | mv -f .git-version-t $(srcdir)/.git-version; \
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| 273 | else \
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| 274 | rm -f .git-version-t; \
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| 275 | fi
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| 276 |
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| 277 | EXTRA_DIST = $(srcdir)/.git-version
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| 278 |
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| 279 | $(srcdir)/version.c: $(srcdir)/.git-version
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| 280 | echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@
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| 281 |
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| 282 | molecuilder_SOURCES += $(srcdir)/version.c
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