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1 : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 2 : Copyright (c) 2014-2020 The plumed team 3 : (see the PEOPLE file at the root of the distribution for a list of names) 4 : 5 : See http://www.plumed.org for more information. 6 : 7 : This file is part of plumed, version 2. 8 : 9 : plumed is free software: you can redistribute it and/or modify 10 : it under the terms of the GNU Lesser General Public License as published by 11 : the Free Software Foundation, either version 3 of the License, or 12 : (at your option) any later version. 13 : 14 : plumed is distributed in the hope that it will be useful, 15 : but WITHOUT ANY WARRANTY; without even the implied warranty of 16 : MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 17 : GNU Lesser General Public License for more details. 18 : 19 : You should have received a copy of the GNU Lesser General Public License 20 : along with plumed. If not, see <http://www.gnu.org/licenses/>. 21 : +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ 22 : #ifndef __PLUMED_vesselbase_LessThan_h 23 : #define __PLUMED_vesselbase_LessThan_h 24 : 25 : #include "FunctionVessel.h" 26 : #include "tools/SwitchingFunction.h" 27 : #include "ActionWithVessel.h" 28 : 29 : namespace PLMD { 30 : namespace vesselbase { 31 : 32 177 : class LessThan : public FunctionVessel { 33 : private: 34 : SwitchingFunction sf; 35 : public: 36 : static void registerKeywords( Keywords& keys ); 37 : static void reserveKeyword( Keywords& keys ); 38 : explicit LessThan( const VesselOptions& da ); 39 : std::string value_descriptor(); 40 : double calcTransform( const double& val, double& dv ) const ; 41 : double getCutoff(); 42 : }; 43 : 44 : } 45 : } 46 : #endif