PAPRECA Directory Reference

Files
file	bond.cpp
	Definitions for PAPRECA::Bond.
file	bond.h [code]
	Declarations for PAPRECA::Bond.
file	debug.cpp
	Definitions for debug.h.
file	debug.h [code]
	Functions that can potentially be useful for debugging purposes. These function are not used in the main code. Also, some of those might need a modification to work for your specific debugging requirements.
file	equilibration.cpp
	Definitions for equilibration.h.
file	equilibration.h [code]
	Declarations for functions equilibrate the system (i.e., Molecular Dynamics runs, system minimization runs) and equilibration-related functions (e.g., functions that delete desorbed atoms).
file	event.cpp
	Definitions for PAPRECA:Event class and its children classes.
file	event.h [code]
	Declarations for PAPRECA:Event class and its children classes.
file	event_detect.cpp
	Definitions for event_detect.h.
file	event_detect.h [code]
	Declarations for functions that detect predefined events.
file	event_execute.cpp
	Definitions for event_detect.h.
file	event_execute.h [code]
	Declarations for functions that execute events.
file	event_list.cpp
	Definitions of PredefinedEvent classes.
file	event_list.h [code]
	Declarations of PredefinedEvent classes.
file	event_select.cpp
	Definitions for event_detect.h.
file	event_select.h [code]
	Declarations for functions that (stochastically) select events for execution.
file	export_files.cpp
	Definitions for export_files.f.
file	export_files.h [code]
	Declarations of export File classes.
file	geometry_calc.cpp
	Definitions for geometry_calc.h.
file	geometry_calc.h [code]
	Header for geometry calculation functions (e.g., film height, interference).
file	input_file.cpp
	Definitions for input_file.h.
file	input_file.h [code]
	Declarations of functions related to the reading of the PAPRECA input file, and the initialization of the PAPRECA::PaprecaConfig object from the PAPRECA input file.
file	lammps_wrappers.cpp
	Definitions for LAMMPS wrapper functions.
file	lammps_wrappers.h [code]
	Declarations for LAMMPS wrapper functions.
file	mpi_wrappers.cpp
	Definitions for mpi_wrappers.h.
file	mpi_wrappers.h [code]
	Wrapper functions of MPI protocol functions.
file	papreca.h [code]
	General PAPRECA header containing all headers of the PAPRECA library.
file	papreca_config.cpp
	Definitions for the PAPRECA::PaprecaConfig class.
file	papreca_config.h [code]
	Declarations for PAPRECA::PaprecaConfig class storing settings and global variables.
file	papreca_error.cpp
	Definitions for papreca_error.h.
file	papreca_error.h [code]
	Functions that enable the communication of error/warning messages to the terminal and coordinate the safe termination of MPI processes.
file	rates_calc.cpp
	Function definitions for rates_calc.h.
file	rates_calc.h [code]
	Includes functions used to calculate the rates of predefined events. All functions return rates in Hz (i.e., 1/s). However, not all inputs to these functions are in SI units. Please see the specific function descriptions for more information. PAPRECA reports time in SI units (i.e., seconds), however, all other units are in complete accordance with LAMMPS units (e.g., REAL, SI, etc.) as defined in the LAMMPS units file (through the units command).
file	sim_clock.cpp
	Definitions for sim_clock.h.
file	sim_clock.h [code]
	Declarations for functions that (stochastically) advance the simulation time.
file	utilities.cpp
	Definitions for utilities.h.
file	utilities.h [code]
	Utility functions (e.g., for arrays, strings etc.) and typedefs used in papreca.cpp main and in the other header files.