/dports/science/plumed/plumed2-2.7.2/src/vesselbase/ |
H A D | ActionWithVessel.h | 49 class ActionWithVessel : public virtual Action { 144 explicit ActionWithVessel(const ActionOptions&ao); 145 ~ActionWithVessel(); 201 double ActionWithVessel::getTolerance() const { in getTolerance() 206 double ActionWithVessel::getNLTolerance() const { in getNLTolerance() 211 unsigned ActionWithVessel::getNumberOfVessels() const { in getNumberOfVessels() 255 bool ActionWithVessel::serialCalculation() const { in serialCalculation() 260 bool ActionWithVessel::usingLowMem() const { in usingLowMem() 265 void ActionWithVessel::setLowMemOption(const bool& l) { in setLowMemOption() 270 bool ActionWithVessel::derivativesAreRequired() const { in derivativesAreRequired() [all …]
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H A D | ActionWithVessel.cpp | 52 ActionWithVessel::ActionWithVessel(const ActionOptions&ao): in ActionWithVessel() function in PLMD::vesselbase::ActionWithVessel 92 ActionWithVessel::~ActionWithVessel() { in ~ActionWithVessel() 129 BridgeVessel* ActionWithVessel::addBridgingVessel( ActionWithVessel* tome ) { in addBridgingVessel() 143 StoreDataVessel* ActionWithVessel::buildDataStashes( ActionWithVessel* actionThatUses ) { in buildDataStashes() 165 void ActionWithVessel::readVesselKeywords() { in readVesselKeywords() 196 void ActionWithVessel::resizeFunctions() { in resizeFunctions() 200 void ActionWithVessel::needsDerivatives() { in needsDerivatives() 207 ActionWithVessel* vv=dynamic_cast<ActionWithVessel*>( getDependencies()[i] ); in needsDerivatives() 212 void ActionWithVessel::lockContributors() { in lockContributors() 239 void ActionWithVessel::deactivateAllTasks() { in deactivateAllTasks() [all …]
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H A D | BridgeVessel.h | 46 ActionWithVessel* myOutputAction; 57 ActionWithVessel* getOutputAction(); 59 void setOutputAction( ActionWithVessel* myOutputAction ); 83 ActionWithVessel* BridgeVessel::getOutputAction() { in getOutputAction()
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H A D | ActionWithInputVessel.cpp | 48 ActionWithVessel* mves= plumed.getActionSet().selectWithLabel<ActionWithVessel*>(mlab); in readArgument() 61 ActionWithVessel* aves=dynamic_cast<ActionWithVessel*>( this ); in readArgument()
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H A D | Vessel.h | 63 ActionWithVessel* action; 71 …onst std::string& thislab, const unsigned& nlab, const std::string& params, ActionWithVessel* aa ); 76 friend class ActionWithVessel; variable 85 ActionWithVessel* action; 114 ActionWithVessel* getAction() const ; 234 ActionWithVessel* Vessel::getAction() const { in getAction()
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H A D | StoreDataVessel.h | 60 std::vector<ActionWithVessel*> userActions; 97 void addActionThatUses( ActionWithVessel* actionThatUses ); 123 virtual void activateIndices( ActionWithVessel* ) {} in activateIndices() argument 129 ActionWithVessel* getDataUser( const unsigned& ); 201 ActionWithVessel* StoreDataVessel::getDataUser( const unsigned& idata ) { in getDataUser()
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H A D | BridgeVessel.cpp | 55 void BridgeVessel::setOutputAction( ActionWithVessel* myact ) { in setOutputAction() 110 ActionWithVessel* vval=dynamic_cast<ActionWithVessel*>( myOutputAction ); in completeNumericalDerivatives()
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H A D | ActionWithAveraging.cpp | 34 …egisterKeywords( keys ); ActionWithValue::registerKeywords( keys ); ActionWithVessel::registerKeyw… in registerKeywords() 49 ActionWithVessel(ao), in ActionWithAveraging()
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H A D | ActionWithAveraging.h | 52 public ActionWithVessel
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H A D | Vessel.cpp | 33 …onst std::string& thislab, const unsigned& nlab, const std::string& params, ActionWithVessel* aa ): in VesselOptions()
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H A D | StoreDataVessel.cpp | 42 void StoreDataVessel::addActionThatUses( ActionWithVessel* actionThatUses ) { in addActionThatUses()
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/dports/science/plumed/plumed2-2.7.2/src/manyrestraints/ |
H A D | ManyRestraintsBase.cpp | 31 ActionWithVessel::registerKeywords( keys ); in registerKeywords() 43 ActionWithVessel(ao), in ManyRestraintsBase() 48 aves=dynamic_cast<ActionWithVessel*>( getDependencies()[0] ); in ManyRestraintsBase() 66 ActionWithVessel::doJobsRequiredBeforeTaskList(); in doJobsRequiredBeforeTaskList()
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H A D | ManyRestraintsBase.h | 37 public vesselbase::ActionWithVessel, 42 vesselbase::ActionWithVessel* aves;
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/dports/science/plumed/plumed2-2.7.2/src/gridtools/ |
H A D | ActionWithInputGrid.cpp | 41 …vesselbase::ActionWithVessel* mves= plumed.getActionSet().selectWithLabel<vesselbase::ActionWithVe… in ActionWithInputGrid()
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H A D | GridPrintingBase.cpp | 47 …vesselbase::ActionWithVessel* mves= plumed.getActionSet().selectWithLabel<vesselbase::ActionWithVe… in GridPrintingBase()
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H A D | ConvertToFES.cpp | 131 ActionWithVessel::finishComputations( buffer ); in finishComputations()
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/dports/science/plumed/plumed2-2.7.2/src/analysis/ |
H A D | AnalysisBase.cpp | 34 …ActionWithVessel::registerKeywords( keys ); keys.remove("TOL"); keys.reset_style("TIMINGS","hidden… in registerKeywords() 44 ActionWithVessel(ao), in AnalysisBase()
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H A D | Histogram.cpp | 204 std::vector<vesselbase::ActionWithVessel*> myvessels; 248 ActionWithVessel* myv = plumed.getActionSet().selectWithLabel<ActionWithVessel*>( vlab ); in Histogram() 258 … ActionWithVessel* myv = plumed.getActionSet().selectWithLabel<ActionWithVessel*>( mlab[i] ); in Histogram()
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H A D | AnalysisBase.h | 50 public vesselbase::ActionWithVessel
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/dports/science/plumed/plumed2-2.7.2/src/mapping/ |
H A D | Mapping.cpp | 39 vesselbase::ActionWithVessel::registerKeywords( keys ); in registerKeywords() 53 ActionWithVessel(ao) in Mapping()
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H A D | Mapping.h | 44 public vesselbase::ActionWithVessel
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/dports/science/plumed/plumed2-2.7.2/src/secondarystructure/ |
H A D | SecondaryStructureRMSD.h | 41 public vesselbase::ActionWithVessel
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H A D | SecondaryStructureRMSD.cpp | 60 ActionWithVessel::registerKeywords( keys ); in registerKeywords() 77 ActionWithVessel(ao), in SecondaryStructureRMSD()
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/dports/science/plumed/plumed2-2.7.2/src/multicolvar/ |
H A D | MultiColvarFilter.cpp | 51 ActionWithVessel::doJobsRequiredBeforeTaskList(); in doJobsRequiredBeforeTaskList()
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H A D | MultiColvarBase.h | 44 public vesselbase::ActionWithVessel
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