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       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2012-2020 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/ActionSetup.h"
      23             : #include "core/ActionRegister.h"
      24             : #include "core/PlumedMain.h"
      25             : #include "tools/Exception.h"
      26             : 
      27             : using namespace std;
      28             : 
      29             : namespace PLMD {
      30             : namespace setup {
      31             : 
      32             : //+PLUMEDOC GENERIC RESTART
      33             : /*
      34             : Activate restart.
      35             : 
      36             : This is a Setup directive and, as such, should appear
      37             : at the beginning of the input file. It influences the way
      38             : PLUMED treat files open for writing (see also \ref Files).
      39             : 
      40             : Notice that it is also possible to enable or disable restart on a per-action
      41             : basis using the RESTART keyword on a single action. In this case,
      42             : the keyword should be assigned a value. RESTART=AUTO means that global
      43             : settings are used, RESTART=YES or RESTART=NO respectively enable
      44             : and disable restart for that single action.
      45             : 
      46             : \attention
      47             : This directive can have also other side effects, e.g. on \ref METAD
      48             : and \ref PBMETAD and on some analysis action.
      49             : 
      50             : \par Examples
      51             : 
      52             : Using the following input:
      53             : \plumedfile
      54             : d: DISTANCE ATOMS=1,2
      55             : PRINT ARG=d FILE=out
      56             : \endplumedfile
      57             : a new 'out' file will be created. If an old one is on the way, it will be automatically backed up.
      58             : 
      59             : On the other hand, using the following input:
      60             : \plumedfile
      61             : RESTART
      62             : d: DISTANCE ATOMS=1,2
      63             : PRINT ARG=d FILE=out
      64             : \endplumedfile
      65             : the file 'out' will be appended.
      66             : 
      67             : In the following case, file out1 will be backed up and file out2 will be concatenated
      68             : \plumedfile
      69             : RESTART
      70             : d1: DISTANCE ATOMS=1,2
      71             : d2: DISTANCE ATOMS=1,2
      72             : PRINT ARG=d1 FILE=out1 RESTART=NO
      73             : PRINT ARG=d2 FILE=out2
      74             : \endplumedfile
      75             : 
      76             : In the following case, file out will backed up even if the MD code thinks that we
      77             : are restarting. Notice that not all the MD code send to PLUMED information about restarts.
      78             : If you are not sure, always put `RESTART` when you are restarting and nothing when you aren't
      79             : \plumedfile
      80             : RESTART NO
      81             : d1: DISTANCE ATOMS=1,2
      82             : PRINT ARG=d1 FILE=out1
      83             : \endplumedfile
      84             : 
      85             : 
      86             : 
      87             : 
      88             : 
      89             : */
      90             : //+ENDPLUMEDOC
      91             : 
      92          78 : class Restart :
      93             :   public virtual ActionSetup
      94             : {
      95             : public:
      96             :   static void registerKeywords( Keywords& keys );
      97             :   explicit Restart(const ActionOptions&ao);
      98             : };
      99             : 
     100        7434 : PLUMED_REGISTER_ACTION(Restart,"RESTART")
     101             : 
     102          40 : void Restart::registerKeywords( Keywords& keys ) {
     103          40 :   ActionSetup::registerKeywords(keys);
     104         120 :   keys.addFlag("NO",false,"switch off restart - can be used to override the behavior of the MD engine");
     105          40 : }
     106             : 
     107          39 : Restart::Restart(const ActionOptions&ao):
     108             :   Action(ao),
     109          39 :   ActionSetup(ao)
     110             : {
     111          39 :   bool no=false;
     112          78 :   parseFlag("NO",no);
     113          39 :   bool md=plumed.getRestart();
     114          39 :   log<<"  MD code "<<(md?"did":"didn't")<<" require restart\n";
     115          39 :   if(no) {
     116           0 :     if(md) log<<"  Switching off restart\n";
     117           0 :     plumed.setRestart(false);
     118           0 :     log<<"  Not restarting simulation: files will be backed up\n";
     119             :   } else {
     120          39 :     if(!md) log<<"  Switching on restart\n";
     121          39 :     plumed.setRestart(true);
     122          39 :     log<<"  Restarting simulation: files will be appended\n";
     123             :   }
     124          39 : }
     125             : 
     126             : }
     127        5517 : }