| [b28524] | 1 | <?xml version="1.0" encoding="UTF-8"?><umlet_diagram><help_text>// Uncomment the following line to change the fontsize:
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 | 2 | // fontsize=14
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 | 3 | 
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 | 4 | 
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 | 5 | //////////////////////////////////////////////////////////////////////////////////////////////
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 | 6 | // Welcome to UMLet!
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 | 7 | //
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 | 8 | // Double-click on UML elements to add them to the diagram, or to copy them
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 | 9 | // Edit elements by modifying the text in this panel
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 | 10 | // Hold Ctrl to select multiple elements
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 | 11 | // Use Ctrl+mouse to select via lasso
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 | 12 | //
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 | 13 | // Use ± or Ctrl+mouse wheel to zoom
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 | 14 | // Drag a whole relation at its central square icon
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 | 15 | //
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 | 16 | // Press Ctrl+C to copy the whole diagram to the system clipboard (then just paste it to, eg, Word)
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 | 17 | // Edit the files in the "palettes" directory to create your own element palettes
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 | 18 | //
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 | 19 | // Select "Custom Elements > New..." to create new element types
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 | 20 | //////////////////////////////////////////////////////////////////////////////////////////////
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 | 21 | 
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 | 22 | 
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| [9fe36b] | 23 | // This text will be stored with each diagram;  use it for notes.</help_text><zoom_level>7</zoom_level><element><type>com.umlet.element.base.Class</type><coordinates><x>1855</x><y>210</y><w>147</w><h>70</h></coordinates><panel_attributes>AtomInfo
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| [b28524] | 24 | --
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 | 25 | -x,v,F: Vector
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 | 26 |   element *type;  //!< pointing to element
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 | 27 | --
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 | 28 | #AtomInfo();
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 | 29 | #~AtomInfo();
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| [9fe36b] | 30 | </panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1645</x><y>231</y><w>223</w><h>34</h></coordinates><panel_attributes>lt=<<<<-</panel_attributes><additional_attributes>210;21;21;21</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1274</x><y>63</y><w>392</w><h>259</h></coordinates><panel_attributes>Element
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| [b28524] | 31 | --
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 | 32 | mass: double
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 | 33 | CovalentRadius: double
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 | 34 | VanDerWaalsRadius: double
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 | 35 | Z: int
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 | 36 | name: char[64]
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 | 37 | symbol: char[3]
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 | 38 | period: char[8]
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 | 39 | group: char[8]
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 | 40 | block: char[8]
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 | 41 | sort: int *
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 | 42 | No: int
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 | 43 | Valence: double
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 | 44 | NoValenceOrbitals: int
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 | 45 | HBondDistance: double[NDIM]
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 | 46 | HBondAngle: double[NDIM]
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 | 47 | --
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 | 48 | #element();
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 | 49 | #~element();
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 | 50 | #Output(ofstream * const out) const: bool
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| [9fe36b] | 51 | #Checkout(ofstream * const out, const int No, const int NoOfAtoms) const: bool</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1960</x><y>448</y><w>280</w><h>161</h></coordinates><panel_attributes>BondedParticle
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| [b28524] | 52 | --
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 | 53 | --
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 | 54 | #Operation(i: int): int
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 | 55 | #BondedParticle()
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 | 56 | /+virtual ~BondedParticle()/
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 | 57 | #RegisterBond(bond *Binder): bool
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 | 58 | #UnregisterBond(bond *Binder): bool
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 | 59 | #IsBondedTo(BondedParticle * const BondPartner): bool 
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 | 60 | #UnregisterAllBond();
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 | 61 | #CountBonds() const: int
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 | 62 | #CorrectBondDegree(): int
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 | 63 | #OutputBondOfAtom() const
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 | 64 | #OutputAdjacency(ofstream *AdjacencyFile) const
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| [9fe36b] | 65 | #OutputOrder(ofstream *file) const</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2184</x><y>259</y><w>258</w><h>202</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>245;21;245;154;21;154;21;189</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1925</x><y>259</y><w>293</w><h>202</h></coordinates><panel_attributes>lt=<<-
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 | 66 | </panel_attributes><additional_attributes>21;21;21;154;280;154;280;189</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2184</x><y>259</y><w>34</w><h>202</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>21;21;21;189</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2359</x><y>210</y><w>147</w><h>70</h></coordinates><panel_attributes>BondedParticleInfo
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| [b28524] | 67 | --
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 | 68 | AdaptiveOrder: unsigned char
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 | 69 | MaxOrder: bool
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 | 70 | --
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 | 71 | #BondedParticleInfo()
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 | 72 | #~BondedParticleInfo()
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| [9fe36b] | 73 | </panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2079</x><y>196</y><w>217</w><h>84</h></coordinates><panel_attributes>ParticleInfo
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| [b28524] | 74 | --
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 | 75 | nr: int
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 | 76 | Name: char *
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 | 77 | --
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 | 78 | #ParticleInfo()
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 | 79 | #~ParticleInfo()
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 | 80 | #ostream & operator << (ostream &ost) const
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| [9fe36b] | 81 | </panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2485</x><y>231</y><w>174</w><h>34</h></coordinates><panel_attributes>lt=<<<<-</panel_attributes><additional_attributes>21;21;161;21</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2646</x><y>161</y><w>147</w><h>133</h></coordinates><panel_attributes>BondList
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| [b28524] | 82 | {Some Properties}
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 | 83 | --
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 | 84 | -id: Long
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 | 85 | _-ClassAttribute: Long_
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 | 86 | --
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 | 87 | #Operation(i: int): int
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 | 88 | /+AbstractOperation()/
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 | 89 | --
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 | 90 | Responsibilities
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 | 91 | -- Resp1
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| [9fe36b] | 92 | *-- Resp2*</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1372</x><y>343</y><w>147</w><h>105</h></coordinates><panel_attributes>GraphNodeInfo
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| [b28524] | 93 | --
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 | 94 | --
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 | 95 | GraphNr: int
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 | 96 | ComponentNr: int *
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 | 97 | LowpointNr: int 
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 | 98 | SeparationVertex: bool 
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 | 99 | IsCyclic: bool
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 | 100 | 
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 | 101 | --
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 | 102 | #GraphNodeInfo()
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 | 103 | #~GraphNodeInfo()
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| [9fe36b] | 104 | </panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1484</x><y>525</y><w>126</w><h>70</h></coordinates><panel_attributes>GraphNode
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| [b28524] | 105 | --
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 | 106 | --
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 | 107 | #GraphNode()
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 | 108 | /+~GraphNode()/
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 | 109 | #OutputGraphInfo() const
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 | 110 | #OutputComponentNumber() const
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| [9fe36b] | 111 | </panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1484</x><y>259</y><w>748</w><h>279</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>735;21;735;70;217;70;217;210;21;210;21;266</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1484</x><y>427</y><w>34</w><h>111</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>21;21;21;98</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1288</x><y>672</y><w>588</w><h>245</h></coordinates><panel_attributes>Atom
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| [b28524] | 112 | --
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 | 113 | sort: int*
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 | 114 | --
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 | 115 | #atom()
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 | 116 | #atom(class atom *pointer)
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 | 117 | /+~atom()/
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 | 118 | #OutputIndexed(ofstream * const out, const int ElementNo, const int AtomNo, const char *comment = NULL) const: bool 
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 | 119 | #OutputArrayIndexed(ofstream * const out, const int *ElementNo, int *AtomNo, const char *comment = NULL) const: bool
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 | 120 | #OutputXYZLine(ofstream *out) const: bool
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 | 121 | #OutputTrajectory(ofstream * const out, const int *ElementNo, int *AtomNo, const int step) const: bool
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 | 122 | #OutputTrajectoryXYZ(ofstream * const out, const int step) const: bool
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 | 123 | #OutputMPQCLine(ofstream * const out, const Vector *center, int *AtomNo) const
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 | 124 | #InitComponentNr()
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 | 125 | #EqualsFather ( const atom *ptr, const atom **res ) const
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 | 126 | #CorrectFather()
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 | 127 | #GetTrueFather(): atom *
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 | 128 | #Compare(const atom &ptr) const: bool
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 | 129 | #DistanceToVector(const Vector &origin) const: double 
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 | 130 | #DistanceSquaredToVector(const Vector &origin) const: double
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| [9fe36b] | 131 | #IsInParallelepiped(const Vector offset, const double *parallelepiped) const: bool</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1379</x><y>427</y><w>83</w><h>258</h></coordinates><panel_attributes>lt=<<<<-</panel_attributes><additional_attributes>21;21;21;182;70;182;70;245</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2226</x><y>665</y><w>504</w><h>210</h></coordinates><panel_attributes>TrajectoryParticle
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| [b28524] | 132 | --
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 | 133 | --
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 | 134 | #TrajectoryParticle()
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 | 135 | /+~TrajectoryParticle()/
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 | 136 | #AddKineticToTemperature(double *temperature, int step) const
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 | 137 | #EvaluateConstrainedForce(int startstep, int endstep, atom **PermutationMap, ForceMatrix *Force) const
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 | 138 | #CorrectVelocity(double *ActualTemp, int Step, Vector *CoGVelocity)
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 | 139 | #ResizeTrajectory(int MaxSteps)
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 | 140 | #CopyStepOnStep(int dest, int src)
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 | 141 | #VelocityVerletUpdate(int MDSteps, config *configuration, ForceMatrix *Force)
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 | 142 | #SumUpKineticEnergy( int Step, double *TotalMass, Vector *TotalVelocity ) const
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 | 143 | #Thermostat_Woodcock(double ScaleTempFactor, int Step, double *ekin)
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 | 144 | #Thermostat_Gaussian_init(int Step, double *G, double *E)
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 | 145 | #Thermostat_Gaussian_least_constraint(int Step, double G_over_E, double *ekin, config *configuration)
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 | 146 | #Thermostat_Langevin(int Step, gsl_rng * r, double *ekin, config *configuration)
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 | 147 | #Thermostat_Berendsen(int Step, double ScaleTempFactor, double *ekin, config *configuration)
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 | 148 | #Thermostat_NoseHoover_init(int Step, double *delta_alpha)
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| [9fe36b] | 149 | #Thermostat_NoseHoover_scale(int Step, double *ekin, config *configuration)</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2149</x><y>259</y><w>209</w><h>419</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>21;21;21;112;196;112;196;406</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1967</x><y>259</y><w>391</w><h>419</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>21;21;21;112;378;112;378;406</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1617</x><y>490</y><w>203</w><h>70</h></coordinates><panel_attributes>TrajectoryParticleInfo
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| [b28524] | 150 | --
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 | 151 | Trajectory: struct {vector<Vector> R,U,V}
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 | 152 | FixedIon: int
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 | 153 | --
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 | 154 | #TrajectoryParticleInfo()
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| [9fe36b] | 155 | #~TrajectoryParticleInfo()</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1757</x><y>539</y><w>601</w><h>139</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>21;21;21;105;588;105;588;126</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1729</x><y>539</y><w>34</w><h>146</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>21;21;21;133</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1519</x><y>574</y><w>244</w><h>111</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>21;21;21;56;231;56;231;98</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1736</x><y>364</y><w>147</w><h>112</h></coordinates><panel_attributes>TesselPoint
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| [b28524] | 156 | --
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 | 157 | -id: Long
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 | 158 | _-ClassAttribute: Long_
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 | 159 | --
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 | 160 | #Operation(i: int): int
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 | 161 | /+AbstractOperation()/
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 | 162 | --
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 | 163 | Responsibilities
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 | 164 | -- Resp1
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| [9fe36b] | 165 | *-- Resp2*</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1729</x><y>455</y><w>146</w><h>230</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>133;21;133;175;21;175;21;217</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1729</x><y>588</y><w>398</w><h>97</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>385;21;385;42;21;42;21;84</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1729</x><y>259</y><w>398</w><h>426</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>385;21;385;168;196;168;196;371;21;371;21;413</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1729</x><y>259</y><w>209</w><h>426</h></coordinates><panel_attributes>lt=<<-</panel_attributes><additional_attributes>196;21;196;371;21;371;21;413</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>833</x><y>770</y><w>357</w><h>224</h></coordinates><panel_attributes>Bond
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| [b28524] | 166 | --
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 | 167 | HydrogenBond: int
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 | 168 | BondDegree: int
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 | 169 | nr: int
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 | 170 | Cyclic: bool
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 | 171 | Type: enum EdgeType
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 | 172 | Used: enum Shading
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 | 173 | --
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 | 174 | #GetOtherAtom(const ParticleInfo * const Atom) const: atom *
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 | 175 | #MarkUsed(const enum Shading color): bool
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 | 176 | #IsUsed(): enum Shading
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 | 177 | #ResetUsed()
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 | 178 | #Contains(const ParticleInfo * const ptr): bool
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 | 179 | #Contains(const int nr): bool
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 | 180 | #GetDistance() const: double
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 | 181 | #GetDistanceSquared() const: double
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 | 182 | #bond()
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 | 183 | #bond(atom *left, atom *right, const int degree=1, const int number=0)
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| [9fe36b] | 184 | #~bond()</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1834</x><y>623</y><w>107</w><h>125</h></coordinates><panel_attributes>lt=<<<<-
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 | 185 | 3</panel_attributes><additional_attributes>42;112;91;112;91;35;21;35;21;49</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1169</x><y>812</y><w>132</w><h>49</h></coordinates><panel_attributes>lt=<<<<-
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 | 186 | 2</panel_attributes><additional_attributes>21;35;119;35</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>770</x><y>658</y><w>111</w><h>167</h></coordinates><panel_attributes>lt=<<<<-
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 | 187 | 2</panel_attributes><additional_attributes>63;154;28;154;28;35;98;35;98;112</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1113</x><y>1246</y><w>504</w><h>168</h></coordinates><panel_attributes>BondGraph
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| [b28524] | 188 | --
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 | 189 | max_distance: double
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 | 190 | IsAngstroem: bool
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 | 191 | --
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 | 192 | #BondGraph(bool IsA);
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 | 193 | #~BondGraph();
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 | 194 | #LoadBondLengthTable(const string &filename): bool
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 | 195 | #ConstructBondGraph(molecule * const mol): bool
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 | 196 | #GetBondLength(int firstelement, int secondelement): double
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 | 197 | #SetMaxDistanceToMaxOfCovalentRadii(const molecule * const mol): double
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 | 198 | #BondLengthMatrixMinMaxDistance(BondedParticle * const Walker, BondedParticle * const OtherWalker,
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 | 199 |                                                         double &MinDistance, double &MaxDistance, bool IsAngstroem)
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 | 200 | #CovalentMinMaxDistance(BondedParticle * const Walker, BondedParticle * const OtherWalker,
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| [9fe36b] | 201 |                                           double &MinDistance, double &MaxDistance, bool IsAngstroem)</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1596</x><y>1323</y><w>167</w><h>34</h></coordinates><panel_attributes>lt=<<<<-</panel_attributes><additional_attributes>21;21;154;21</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1750</x><y>1281</y><w>147</w><h>133</h></coordinates><panel_attributes>MatrixContainer
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| [b28524] | 202 | --
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 | 203 | -id: Long
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 | 204 | _-ClassAttribute: Long_
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 | 205 | --
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 | 206 | #Operation(i: int): int
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 | 207 | /+AbstractOperation()/
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 | 208 | --
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 | 209 | Responsibilities
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 | 210 | -- Resp1
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| [9fe36b] | 211 | *-- Resp2*</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>0</x><y>455</y><w>511</w><h>1050</h></coordinates><panel_attributes>config
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| [b28524] | 212 | --
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 | 213 | PsiType: int
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 | 214 | MaxPsiDouble: int
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 | 215 | PsiMaxNoUp: int
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 | 216 | PsiMaxNoDown: int
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 | 217 | MaxMinStopStep: int
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 | 218 | InitMaxMinStopStep: int
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 | 219 | ProcPEGamma: int
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 | 220 | ProcPEPsi: int
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 | 221 | configpath: char *
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 | 222 | configname: char *
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 | 223 | FastParsing: bool
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 | 224 | Deltat: double
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 | 225 | basis: string
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 | 226 | databasepath: char *
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 | 227 | DoConstrainedMD: int
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 | 228 | MaxOuterStep: int
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 | 229 | Thermostat: int
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 | 230 | ThermostatImplemented: int *
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 | 231 | ThermostatNames: char **
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 | 232 | TempFrequency: double
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 | 233 | alpha: double
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 | 234 | HooverMass: double
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 | 235 | TargetTemp: double
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 | 236 | ScaleTempStep: int
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 | 237 | mainname: char *
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 | 238 | defaultpath: char *
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 | 239 | pseudopotpath: char *
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 | 240 | DoOutVis: int
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 | 241 | DoOutMes: int
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 | 242 | DoOutNICS: int
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 | 243 | DoOutOrbitals: int
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 | 244 | DoOutCurrent: int
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 | 245 | DoFullCurrent: int
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 | 246 | DoPerturbation: int
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 | 247 | DoWannier: int
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 | 248 | CommonWannier: int
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 | 249 | SawtoothStart: double
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 | 250 | VectorPlane: int
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 | 251 | VectorCut: double
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 | 252 | UseAddGramSch: int 
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 | 253 | Seed: int
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 | 254 | OutVisStep: int 
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 | 255 | OutSrcStep: int
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 | 256 | MaxPsiStep: int
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 | 257 | EpsWannier: double
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 | 258 | MaxMinStep: int
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 | 259 | RelEpsTotalEnergy: double
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 | 260 | RelEpsKineticEnergy: double
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 | 261 | MaxMinGapStopStep: int
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 | 262 | MaxInitMinStep: int
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 | 263 | InitRelEpsTotalEnergy: double
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 | 264 | InitRelEpsKineticEnergy: double
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 | 265 | InitMaxMinGapStopStep: int
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 | 266 | ECut: double
 | 
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 | 267 | MaxLevel: int
 | 
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 | 268 | RiemannTensor: int
 | 
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 | 269 | LevRFactor: int
 | 
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 | 270 | RiemannLevel: int
 | 
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 | 271 | Lev0Factor: int
 | 
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 | 272 | RTActualUse: int
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 | 273 | AddPsis: int
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 | 274 | RCut: double
 | 
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 | 275 | StructOpt: int
 | 
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 | 276 | IsAngstroem: int
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 | 277 | RelativeCoord: int
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 | 278 | MaxTypes: int
 | 
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 | 279 | --
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 | 280 | #config();
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 | 281 | #~config();
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 | 282 | #TestSyntax(const char * const filename, const periodentafel * const periode) const: int
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 | 283 | #Load(const char * const filename, const string &BondGraphFileName,
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 | 284 |           const periodentafel * const periode, MoleculeListClass * const &MolList);
 | 
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 | 285 | #LoadOld(const char * const filename, const string &BondGraphFileName,
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 | 286 |                 const periodentafel * const periode, MoleculeListClass * const &MolList);
 | 
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 | 287 | #RetrieveConfigPathAndName(const string filename);
 | 
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 | 288 | #Save(const char * const filename, const periodentafel * const periode, molecule * const mol) const: bool
 | 
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 | 289 | #SaveMPQC(const char * const filename, const molecule * const mol) const: bool
 | 
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 | 290 | #SavePDB(const char * const filename, const MoleculeListClass * const MolList) const: bool
 | 
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 | 291 | #SavePDB(const char * const filename, const molecule * const mol) const: bool
 | 
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 | 292 | #SaveTREMOLO(const char * const filename, const molecule * const mol) const: bool
 | 
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 | 293 | #SaveTREMOLO(const char * const filename, const MoleculeListClass * const MolList) const: bool
 | 
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 | 294 | #Edit();
 | 
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 | 295 | #GetIsAngstroem() const: bool
 | 
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 | 296 | #GetDefaultPath() const: char *
 | 
|---|
 | 297 | #SetDefaultPath(const char * const path);
 | 
|---|
 | 298 | #InitThermostats();
 | 
|---|
| [9fe36b] | 299 | #ParseThermostats(class ConfigFileBuffer * const fb);</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>490</x><y>1344</y><w>636</w><h>34</h></coordinates><panel_attributes>lt=<<<<-</panel_attributes><additional_attributes>21;21;623;21</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1596</x><y>0</y><w>121</w><h>139</h></coordinates><panel_attributes>lt=<<<<-
 | 
|---|
 | 300 | 2</panel_attributes><additional_attributes>70;126;105;126;105;35;21;35;21;63</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2520</x><y>896</y><w>224</w><h>140</h></coordinates><panel_attributes><<Singleton>>
 | 
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| [b28524] | 301 | errorLogger
 | 
|---|
 | 302 | --
 | 
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 | 303 | static ostream *nix;
 | 
|---|
 | 304 | static int verbosity;
 | 
|---|
 | 305 | static errorLogger* instance;
 | 
|---|
 | 306 | --
 | 
|---|
 | 307 | #static getInstance(): errorLogger*
 | 
|---|
 | 308 | #static purgeInstance()
 | 
|---|
 | 309 | #static DoOutput(): bool
 | 
|---|
 | 310 | #static setVerbosity(int verbosityLevel);
 | 
|---|
 | 311 | #protected errorLogger()
 | 
|---|
| [9fe36b] | 312 | #protected ~errorLogger()</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2093</x><y>980</y><w>364</w><h>35</h></coordinates><panel_attributes>KeyCompare
 | 
|---|
| [b28524] | 313 | --
 | 
|---|
 | 314 | --
 | 
|---|
 | 315 | #operator() (const KeySet SubgraphA, const KeySet SubgraphB) const: bool
 | 
|---|
| [9fe36b] | 316 | </panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1169</x><y>1134</y><w>147</w><h>105</h></coordinates><panel_attributes>UniqueFragments
 | 
|---|
| [b28524] | 317 | --
 | 
|---|
 | 318 | ANOVAOrder: int
 | 
|---|
 | 319 | FragmentCounter: int
 | 
|---|
 | 320 | CurrentIndex: int
 | 
|---|
 | 321 | TEFactor: double
 | 
|---|
 | 322 | ShortestPathList: int *
 | 
|---|
 | 323 | UsedList: bool **
 | 
|---|
| [9fe36b] | 324 | BondsPerSPCount: int *</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>490</x><y>1169</y><w>692</w><h>34</h></coordinates><panel_attributes>lt=<<<<-</panel_attributes><additional_attributes>679;21;21;21</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1120</x><y>896</y><w>251</w><h>307</h></coordinates><panel_attributes>lt=<<<<-</panel_attributes><additional_attributes>49;294;21;294;21;224;238;224;238;21</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>840</x><y>1043</y><w>245</w><h>28</h></coordinates><panel_attributes>Graph
 | 
|---|
| [b28524] | 325 | {map <KeySet, NumberValuePair, KeyCompare>}
 | 
|---|
| [9fe36b] | 326 | </panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>861</x><y>1050</y><w>321</w><h>153</h></coordinates><panel_attributes>lt=<<<<-</panel_attributes><additional_attributes>308;140;21;140;21;21</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>945</x><y>1106</y><w>56</w><h>28</h></coordinates><panel_attributes>KeySet
 | 
|---|
 | 327 | {set<int>}</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>945</x><y>1113</y><w>237</w><h>90</h></coordinates><panel_attributes>lt=<<<<-</panel_attributes><additional_attributes>224;77;21;77;21;21</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1085</x><y>973</y><w>99</w><h>230</h></coordinates><panel_attributes>lt=<<<<-
 | 
|---|
 | 328 | 0...N X 0...N</panel_attributes><additional_attributes>84;217;56;217;56;112;21;112;21;21</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1736</x><y>2198</y><w>147</w><h>42</h></coordinates><panel_attributes>LSQ_params
 | 
|---|
| [b28524] | 329 | --
 | 
|---|
 | 330 | vectors: const Vector **
 | 
|---|
 | 331 | num: int
 | 
|---|
| [9fe36b] | 332 | </panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1043</x><y>182</y><w>147</w><h>35</h></coordinates><panel_attributes>lsq_params
 | 
|---|
| [b28524] | 333 | --
 | 
|---|
| [9fe36b] | 334 | x: gsl_vector *</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1169</x><y>182</y><w>118</w><h>34</h></coordinates><panel_attributes>lt=<<<<-</panel_attributes><additional_attributes>21;21;105;21</additional_attributes></element></umlet_diagram> | 
|---|