PAPRECA hybrid off-lattice kMC/MD simulator  2.0.0 (17 September 2024)
Public Member Functions | Friends | List of all members
PAPRECA::Log Class Reference

Child class of File, manages papreca.log files. More...

#include <export_files.h>

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Public Member Functions

 Log ()
 
 ~Log ()
 
void init ()
 
void appendDeposition (const int &KMC_loopid, const double &time, const double *site_pos, const double *rot_pos, const double &rot_theta, const double &insertion_vel, const char *mol_name)
 
void appendBondForm (const int &KMC_loopid, const double &time, const LAMMPS_NS::tagint &atom1_id, const LAMMPS_NS::tagint &atom2_id, const int &bond_type)
 
void appendBondBreak (const int &KMC_loopid, const double &time, const LAMMPS_NS::tagint &atom1_id, const LAMMPS_NS::tagint &atom2_id, const int &bond_type)
 
void appendDiffusion (const int &KMC_loopid, const double &time, const double *vac_pos, const LAMMPS_NS::tagint &parent_id, const int &parent_type, const double &insertion_vel, const int &is_displacive, const int &diffused_type)
 
void appendMonoatomicDesorption (const int &KMC_loopid, const double &time, const int &parent_id, const int &parent_type)
 
- Public Member Functions inherited from PAPRECA::File
 File ()
 
 File (const int &print_freq_in)
 
virtual ~File ()
 
virtual void close ()
 
void setActive ()
 
void setIncative ()
 
const bool isActive () const
 
void setPrintFreq (const int &print_freq_in)
 
const int getPrintFreq () const
 

Friends

class PaprecaConfig
 

Additional Inherited Members

- Protected Attributes inherited from PAPRECA::File
std::ofstream file
 
bool is_active = false
 
int print_freq = 0
 

Detailed Description

Child class of File, manages papreca.log files.

Constructor & Destructor Documentation

◆ Log()

PAPRECA::Log::Log ( )

◆ ~Log()

PAPRECA::Log::~Log ( )

Member Function Documentation

◆ appendBondBreak()

void PAPRECA::Log::appendBondBreak ( const int &  KMC_loopid,
const double &  time,
const LAMMPS_NS::tagint &  atom1_id,
const LAMMPS_NS::tagint &  atom2_id,
const int &  bond_type 
)

◆ appendBondForm()

void PAPRECA::Log::appendBondForm ( const int &  KMC_loopid,
const double &  time,
const LAMMPS_NS::tagint &  atom1_id,
const LAMMPS_NS::tagint &  atom2_id,
const int &  bond_type 
)

◆ appendDeposition()

void PAPRECA::Log::appendDeposition ( const int &  KMC_loopid,
const double &  time,
const double *  site_pos,
const double *  rot_pos,
const double &  rot_theta,
const double &  insertion_vel,
const char *  mol_name 
)

◆ appendDiffusion()

void PAPRECA::Log::appendDiffusion ( const int &  KMC_loopid,
const double &  time,
const double *  vac_pos,
const LAMMPS_NS::tagint &  parent_id,
const int &  parent_type,
const double &  insertion_vel,
const int &  is_displacive,
const int &  diffused_type 
)

◆ appendMonoatomicDesorption()

void PAPRECA::Log::appendMonoatomicDesorption ( const int &  KMC_loopid,
const double &  time,
const int &  parent_id,
const int &  parent_type 
)

◆ init()

void PAPRECA::Log::init ( )

Friends And Related Function Documentation

◆ PaprecaConfig

friend class PaprecaConfig
friend
The documentation for this class was generated from the following files: