PAPRECA hybrid off-lattice kMC/MD simulator  2.0.0 (17 September 2024)
sim_clock.h
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1 /*----------------------------------------------------------------------------------------
2 PAPRECA hybrid off-lattice kinetic Monte Carlo/Molecular dynamics simulator.
3 Copyright (C) 2024 Stavros Ntioudis, James P. Ewen, Daniele Dini, and C. Heath Turner
4 
5 This program is free software; you can redistribute it and/or
6 modify it under the terms of the GNU General Public License
7 as published by the Free Software Foundation; either version 2
8 of the License, or (at your option) any later version.
9 
10 This program is distributed in the hope that it will be useful,
11 but WITHOUT ANY WARRANTY; without even the implied warranty of
12 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13 GNU General Public License for more details.
14 
15 You should have received a copy of the GNU General Public License
16 along with this program; if not, write to the Free Software
17 Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
18 ----------------------------------------------------------------------------------------*/
19 
23 
24 #ifndef SIM_CLOCK_H
25 #define SIM_CLOCK_H
26 
27 
28 //LAMMPS headers
29 #include "lammps.h"
31 #include "pointers.h"
33 
34 //KMC headers
35 #include "papreca_config.h"
36 
37 
38 namespace PAPRECA{
39 
40  void advanceSimClockFromKMC( PaprecaConfig &papreca_config , const double &proc_rates_sum , double &time );
41  void advanceSimClockFromLAMMPS( PaprecaConfig &papreca_config , double &time );
42 
43 }//end of PAPRECA namespace
44 
45 
46 #endif
Definition: bond.cpp:26
void advanceSimClockFromLAMMPS(PaprecaConfig &papreca_config, double &time)
Definition: sim_clock.cpp:43
void advanceSimClockFromKMC(PaprecaConfig &papreca_config, const double &proc_rates_sum, double &time)
Definition: sim_clock.cpp:27
Declarations for PAPRECA::PaprecaConfig class storing settings and global variables.