| /dports/biology/protomol/protomol/framework/integrators/ |
| H A D | ImpulseIntegrator.cpp | 14 StandardIntegrator *nextIntegrator) : in ImpulseIntegrator() argument
15 MTSIntegrator(cycles, overloadedForces, nextIntegrator) { in ImpulseIntegrator()
25 …Make(string&, const vector<Value>& values,ForceGroup* fg, StandardIntegrator *nextIntegrator)const{ in doMake()
26 return new ImpulseIntegrator(values[0],fg,nextIntegrator); in doMake()
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| H A D | HMCIntegrator.cpp | 31 StandardIntegrator *nextIntegrator) in HMCIntegrator() argument
34 nextIntegrator) { in HMCIntegrator()
49 ForceGroup* fg, StandardIntegrator *nextIntegrator)const{ in doMake()
51 return new HMCIntegrator(values[0],values[1],values[2],fg,nextIntegrator); in doMake()
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| H A D | MTSIntegrator.cpp | 17 StandardIntegrator *nextIntegrator) in MTSIntegrator() argument
19 myNextIntegrator(nextIntegrator), in MTSIntegrator()
56 …ing& errMsg, const vector<Value>& values, ForceGroup* fg, StandardIntegrator *nextIntegrator)const{ in make()
60 return adjustAlias(doMake(errMsg,values,fg,nextIntegrator)); in make()
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| H A D | DLMCIntegrator.cpp | 36 StandardIntegrator *nextIntegrator) in DLMCIntegrator() argument
39 nextIntegrator) { in DLMCIntegrator()
81 ForceGroup* fg, StandardIntegrator *nextIntegrator)const{ in doMake()
83 return new DLMCIntegrator(values[0],values[1],values[2],fg,nextIntegrator); in doMake()
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| H A D | UmbrellaIntegrator.cpp | 59 StandardIntegrator *nextIntegrator) in UmbrellaIntegrator() argument
60 : MTSIntegrator(cycles,overloadedForces,nextIntegrator) in UmbrellaIntegrator()
75 StandardIntegrator *nextIntegrator)const{ in doMake()
76 return new UmbrellaIntegrator(values[0],fg,nextIntegrator); in doMake()
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| H A D | MTSIntegrator.h | 24 MTSIntegrator(int cycles, ForceGroup *overloadedForces, StandardIntegrator *nextIntegrator);
34 …errMsg, const std::vector<Value>& values, ForceGroup* fg, StandardIntegrator *nextIntegrator)const;
36 …rMsg, const std::vector<Value>& values, ForceGroup* fg, StandardIntegrator *nextIntegrator)const=0;
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| H A D | ImpulseIntegrator.h | 28 StandardIntegrator *nextIntegrator);
50 …errMsg, const std::vector<Value>& values, ForceGroup* fg, StandardIntegrator *nextIntegrator)const;
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| H A D | MOLLYIntegrator.cpp | 17 StandardIntegrator *nextIntegrator) in MOLLYIntegrator() argument
18 : MTSIntegrator(cycles,overloadedForces,nextIntegrator),mySwapPositions(NULL){} in MOLLYIntegrator()
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| H A D | HMCIntegrator.h | 26 StandardIntegrator *nextIntegrator);
52 …errMsg, const std::vector<Value>& values, ForceGroup* fg, StandardIntegrator *nextIntegrator)const;
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| H A D | DLMCIntegrator.h | 28 StandardIntegrator *nextIntegrator);
52 …errMsg, const std::vector<Value>& values, ForceGroup* fg, StandardIntegrator *nextIntegrator)const;
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| H A D | UmbrellaIntegrator.h | 26 StandardIntegrator *nextIntegrator);
54 ForceGroup* fg, StandardIntegrator *nextIntegrator)const;
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| H A D | EquilibriumMOLLYIntegrator.h | 37 …briumMOLLYIntegrator(int cycles, ForceGroup *overloadedForces, StandardIntegrator *nextIntegrator);
51 …errMsg, const std::vector<Value>& values, ForceGroup* fg, StandardIntegrator *nextIntegrator)const;
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| H A D | DihedralHMCIntegrator.cpp | 39 StandardIntegrator *nextIntegrator) in DihedralHMCIntegrator() argument
41 : MTSIntegrator(cycles,overloadedForces,nextIntegrator), in DihedralHMCIntegrator()
242 ForceGroup* fg, StandardIntegrator *nextIntegrator)const{ in doMake()
243 …ntegrator(values[0],values[1],values[2],values[3],values[4],values[5],values[6],fg,nextIntegrator); in doMake()
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| H A D | DihedralHMCIntegrator.h | 33 StandardIntegrator *nextIntegrator);
67 …errMsg, const std::vector<Value>& values, ForceGroup* fg, StandardIntegrator *nextIntegrator)const;
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| H A D | ShadowHMCIntegrator.h | 33 StandardIntegrator *nextIntegrator);
80 StandardIntegrator *nextIntegrator) const;
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| H A D | BSplineMOLLYIntegrator.h | 58 StandardIntegrator *nextIntegrator);
92 …errMsg, const std::vector<Value>& values, ForceGroup* fg, StandardIntegrator *nextIntegrator)const;
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| H A D | MCIntegrator.cpp | 31 StandardIntegrator *nextIntegrator) in MCIntegrator() argument
33 : MTSIntegrator(cycles,overloadedForces,nextIntegrator), in MCIntegrator()
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| H A D | MOLLYIntegrator.h | 27 MOLLYIntegrator(int cycles, ForceGroup *overloadedForces, StandardIntegrator *nextIntegrator);
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| H A D | ShadowHMCIntegrator.cpp | 49 StandardIntegrator *nextIntegrator) in ShadowHMCIntegrator() argument
51 : MCIntegrator(cycles,randomCycLen,initialTemperature,overloadedForces,nextIntegrator), in ShadowHMCIntegrator()
607 ForceGroup* fg, StandardIntegrator *nextIntegrator)const{ in doMake()
615 …eturn new ShadowHMCIntegrator(values[0],values[1],values[2],values[3],values[4],fg,nextIntegrator); in doMake()
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| H A D | BSplineMOLLYIntegrator.cpp | 51 StandardIntegrator *nextIntegrator) in BSplineMOLLYIntegrator() argument
52 : MOLLYIntegrator(cycles,overloadedForces,nextIntegrator), in BSplineMOLLYIntegrator()
440 …errMsg, const std::vector<Value>& values, ForceGroup* fg, StandardIntegrator *nextIntegrator)const{ in doMake()
446 return (new BSplineMOLLYIntegrator(values[0],bsplineType,values[2],fg,nextIntegrator)); in doMake()
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| H A D | EquilibriumMOLLYIntegrator.cpp | 24 StandardIntegrator *nextIntegrator) in EquilibriumMOLLYIntegrator() argument
25 …: MOLLYIntegrator(cycles,overloadedForces,nextIntegrator),myAveragedPositions(new Vector3DBlock())… in EquilibriumMOLLYIntegrator()
429 …ake(string& , const vector<Value>& values,ForceGroup* fg, StandardIntegrator *nextIntegrator)const{ in doMake()
430 return new EquilibriumMOLLYIntegrator(values[0],fg,nextIntegrator); in doMake()
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| H A D | MCIntegrator.h | 30 StandardIntegrator *nextIntegrator);
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| /dports/biology/protomol/protomol/ |
| H A D | tags | 3304 …onst std::vector<Value>& values, ForceGroup* fg, StandardIntegrator *nextIntegrator)const{$/;" f c…
3308 …g& , const vector<Value>& values,ForceGroup* fg, StandardIntegrator *nextIntegrator)const{$/;" f c…
3310 …ng&, const vector<Value>& values,ForceGroup* fg, StandardIntegrator *nextIntegrator)const{$/;" f c…
4809 …sg, const vector<Value>& values, ForceGroup* fg, StandardIntegrator *nextIntegrator)const{$/;" f c…
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