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1 : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 2 : Copyright (c) 2013-2019 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 : #include "FunctionVessel.h" 23 : #include "VesselRegister.h" 24 : 25 : namespace PLMD { 26 : namespace vesselbase { 27 : 28 174 : class Sum : public FunctionVessel { 29 : public: 30 : static void registerKeywords( Keywords& keys ); 31 : static void reserveKeyword( Keywords& keys ); 32 : explicit Sum( const VesselOptions& da ); 33 : std::string value_descriptor() override; 34 : double calcTransform( const double& val, double& dv ) const override; 35 : }; 36 : 37 7948 : PLUMED_REGISTER_VESSEL(Sum,"SUM") 38 : 39 58 : void Sum::registerKeywords( Keywords& keys ) { 40 58 : FunctionVessel::registerKeywords( keys ); 41 58 : } 42 : 43 1958 : void Sum::reserveKeyword( Keywords& keys ) { 44 7832 : keys.reserve("vessel","SUM","calculate the sum of all the quantities."); 45 7832 : keys.addOutputComponent("sum","SUM","the sum of values"); 46 1958 : } 47 : 48 58 : Sum::Sum( const VesselOptions& da ) : 49 58 : FunctionVessel(da) 50 : { 51 58 : } 52 : 53 58 : std::string Sum::value_descriptor() { 54 58 : return "the sum of all the values"; 55 : } 56 : 57 110433 : double Sum::calcTransform( const double& val, double& dv ) const { 58 110433 : dv=1.0; return val; 59 : } 60 : 61 : } 62 5874 : }