Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2013-2020 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 "core/ActionShortcut.h"
      24             : 
      25             : //+PLUMEDOC MCOLVAR DETERMINANT
      26             : /*
      27             : Calculate the determinant of a matrix
      28             : 
      29             : \par Examples
      30             : 
      31             : */
      32             : //+ENDPLUMEDOC
      33             : 
      34             : namespace PLMD {
      35             : namespace matrixtools {
      36             : 
      37             : class Determinant : public ActionShortcut {
      38             : public:
      39             :   static void registerKeywords( Keywords& keys );
      40             :   explicit Determinant(const ActionOptions&ao);
      41             : };
      42             : 
      43             : PLUMED_REGISTER_ACTION(Determinant,"DETERMINANT")
      44             : 
      45           2 : void Determinant::registerKeywords( Keywords& keys ) {
      46           2 :   ActionShortcut::registerKeywords(keys);
      47           4 :   keys.add("compulsory","ARG","The matrix that we are calculating the determinant for");
      48           2 :   keys.setValueDescription("the determinant of the matrix");
      49           2 : }
      50             : 
      51           0 : Determinant::Determinant( const ActionOptions& ao):
      52             :   Action(ao),
      53           0 :   ActionShortcut(ao)
      54             : {
      55           0 :   std::string arg; parse("ARG",arg);
      56             :   // Compose a vector from the args
      57           0 :   readInputLine( getShortcutLabel() + "_diag: DIAGONALIZE ARG=" + arg + " VECTORS=all");
      58             :   // Not sure about the regexp here - check with matrix with more than 10 rows
      59           0 :   readInputLine( getShortcutLabel() + ": PRODUCT ARG=(" + getShortcutLabel() + "_diag\.vals-[0-9])");
      60           0 : }
      61             : 
      62             : }
      63             : }