1 /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 2 Copyright (c) 2016-2021 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_bias_ReweightBase_h 23 #define __PLUMED_bias_ReweightBase_h 24 25 #include "core/ActionWithValue.h" 26 #include "core/ActionWithArguments.h" 27 28 namespace PLMD { 29 namespace bias { 30 31 class ReweightBase : 32 public ActionWithValue, 33 public ActionWithArguments 34 { 35 protected: 36 /// The temperature at which you are running the simulation 37 double simtemp; 38 public: 39 static void registerKeywords(Keywords&); 40 explicit ReweightBase(const ActionOptions&ao); getNumberOfDerivatives()41 unsigned getNumberOfDerivatives() override { return 0; } buildsWeightStore()42 virtual bool buildsWeightStore() const { return false; } 43 void calculate() override; calculateWeights(const unsigned & nframes)44 virtual void calculateWeights( const unsigned& nframes ) {} 45 virtual double getLogWeight() = 0; getWeight(const unsigned & iweight)46 virtual double getWeight( const unsigned& iweight ) const { plumed_error(); } clearData()47 virtual void clearData() {} apply()48 void apply() override {} 49 }; 50 51 } 52 } 53 #endif 54