Line data Source code
1 : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
2 : Copyright (c) 2013-2018 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 92 : 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();
34 : double calcTransform( const double& val, double& dv ) const ;
35 : };
36 :
37 2569 : PLUMED_REGISTER_VESSEL(Sum,"SUM")
38 :
39 46 : void Sum::registerKeywords( Keywords& keys ) {
40 46 : FunctionVessel::registerKeywords( keys );
41 46 : }
42 :
43 841 : void Sum::reserveKeyword( Keywords& keys ) {
44 841 : keys.reserve("vessel","SUM","calculate the sum of all the quantities.");
45 841 : keys.addOutputComponent("sum","SUM","the sum of values");
46 841 : }
47 :
48 46 : Sum::Sum( const VesselOptions& da ) :
49 46 : FunctionVessel(da)
50 : {
51 46 : }
52 :
53 46 : std::string Sum::value_descriptor() {
54 46 : return "the sum of all the values";
55 : }
56 :
57 96804 : double Sum::calcTransform( const double& val, double& dv ) const {
58 96804 : dv=1.0; return val;
59 : }
60 :
61 : }
62 2523 : }
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