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1 : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 2 : Copyright (c) 2012-2019 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 "ExchangePatterns.h" 23 : #include "tools/Random.h" 24 : 25 : using namespace std; 26 : 27 : namespace PLMD { 28 : 29 2726 : ExchangePatterns::ExchangePatterns(): 30 : PatternFlag(NONE), 31 5452 : NumberOfReplicas(1) 32 2726 : {} 33 : 34 2726 : ExchangePatterns::~ExchangePatterns() { 35 2726 : } 36 : 37 0 : void ExchangePatterns::setNofR(const int nrepl) { 38 0 : NumberOfReplicas=nrepl; 39 0 : } 40 : 41 0 : void ExchangePatterns::setFlag(const int flag) { 42 0 : PatternFlag=flag; 43 0 : } 44 : 45 0 : void ExchangePatterns::getFlag(int &flag) { 46 0 : flag=PatternFlag; 47 0 : } 48 : 49 0 : void ExchangePatterns::setSeed(const int seed) 50 : { 51 0 : random.setSeed(seed); 52 0 : } 53 : 54 0 : void ExchangePatterns::getList(int *ind) 55 : { 56 0 : switch(PatternFlag) 57 : { 58 : case RANDOM: 59 0 : for(int i=0; i<NumberOfReplicas; i++) { 60 : int stat=1; 61 0 : while(stat) { 62 : stat=0; 63 0 : ind[i] = (int) (random.U01()*NumberOfReplicas); 64 0 : for(int j=0; j<i; j++) if(ind[i]==ind[j]) stat=1; 65 : } 66 : } 67 : break; 68 : case NEIGHBOR: 69 0 : for(int i=0; i<NumberOfReplicas; i++) ind[i]=i; 70 : break; 71 : } 72 0 : } 73 : 74 : }