Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2016-2019 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 "core/ActionRegister.h"
      23             : #include "ActionWithIntegral.h"
      24             : 
      25             : //+PLUMEDOC GRIDANALYSIS INTEGRATE_GRID
      26             : /*
      27             : Calculate the total integral of the function on the input grid
      28             : 
      29             : \par Examples
      30             : 
      31             : */
      32             : //+ENDPLUMEDOC
      33             : 
      34             : namespace PLMD {
      35             : namespace gridtools {
      36             : 
      37           8 : class IntegrateGrid : public ActionWithIntegral {
      38             : public:
      39             :   static void registerKeywords( Keywords& keys );
      40             :   explicit IntegrateGrid(const ActionOptions&ao);
      41             :   void compute( const unsigned& current, MultiValue& myvals ) const ;
      42             : };
      43             : 
      44        6456 : PLUMED_REGISTER_ACTION(IntegrateGrid,"INTEGRATE_GRID")
      45             : 
      46           5 : void IntegrateGrid::registerKeywords( Keywords& keys ) {
      47           5 :   ActionWithIntegral::registerKeywords( keys );
      48           5 : }
      49             : 
      50           4 : IntegrateGrid::IntegrateGrid(const ActionOptions&ao):
      51             :   Action(ao),
      52           4 :   ActionWithIntegral(ao)
      53             : {
      54           4 : }
      55             : 
      56        5705 : void IntegrateGrid::compute( const unsigned& current, MultiValue& myvals ) const {
      57        5705 :   myvals.setValue( 0, 1.0 ); myvals.setValue( 1, getVolume()*getFunctionValue( current ) );
      58       11410 :   if( !doNotCalculateDerivatives() ) myvals.addDerivative( 1, current, getVolume() );
      59        5705 : }
      60             : 
      61             : }
      62        4839 : }