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             : #ifndef __PLUMED_gridtools_AverageOnGrid_h
      23             : #define __PLUMED_gridtools_AverageOnGrid_h
      24             : 
      25             : #include "HistogramOnGrid.h"
      26             : 
      27             : namespace PLMD {
      28             : namespace gridtools {
      29             : 
      30           8 : class AverageOnGrid : public HistogramOnGrid {
      31             : public:
      32             :   static void registerKeywords( Keywords& keys );
      33             :   explicit AverageOnGrid( const vesselbase::VesselOptions& da );
      34             :   void accumulate( const unsigned& ipoint, const double& weight, const double& dens, const std::vector<double>& der, std::vector<double>& buffer ) const ;
      35           0 :   void accumulateForce( const unsigned& ipoint, const double& weight, const std::vector<double>& der, std::vector<double>& intforce ) const { plumed_error(); }
      36             :   double getGridElement( const unsigned& ipoint, const unsigned& jelement ) const ;
      37             :   unsigned getNumberOfComponents() const ;
      38           0 :   void getFinalForces( const std::vector<double>& buffer, std::vector<double>& finalForces ) { plumed_error(); }
      39             : };
      40             : 
      41             : inline
      42           7 : unsigned AverageOnGrid::getNumberOfComponents() const {
      43           7 :   if( noderiv ) return nper - 1;
      44           7 :   return nper / ( dimension + 1 ) - 1;
      45             : }
      46             : 
      47             : }
      48             : }
      49             : #endif