23 #ifndef EXPORT_FILES_H
24 #define EXPORT_FILES_H
51 File(
const int &print_freq_in );
55 virtual void close( );
84 void append(
const int &KMC_loopid ,
const double &time ,
const char *event_type );
106 void append(
const double &time ,
const double &film_height );
125 void append(
const double &time ,
const double &surface_coverage );
143 void init(
const int &KMC_loopid ,
const int &types_num );
144 void append( LAMMPS_NS::LAMMPS *lmp ,
double **mass_profiles ,
const int &types_num ,
const int &bins_num ,
const double &bin_width ,
double *atom_mass );
159 ExecTime(
const int &print_freq_in );
164 void append(
const int &step_num ,
const int &atoms_num );
165 void close( )
override;
Child class of File, manages distribution.log files.
Definition: export_files.h:129
void init(const int &KMC_loopid, const int &types_num)
Definition: export_files.cpp:144
~ElementalDistribution()
Definition: export_files.cpp:141
void append(LAMMPS_NS::LAMMPS *lmp, double **mass_profiles, const int &types_num, const int &bins_num, const double &bin_width, double *atom_mass)
Definition: export_files.cpp:168
ElementalDistribution()
Definition: export_files.cpp:139
Child class of File, manages execTimes.log files.
Definition: export_files.h:149
double thybrid_min
Definition: export_files.h:185
void close() override
Definition: export_files.cpp:366
void setMDstartTimeStamp()
Definition: export_files.cpp:265
double t2_hybrid
Definition: export_files.h:184
double tmd_max
Definition: export_files.h:187
void resetTimeVariables()
Definition: export_files.cpp:339
void append(const int &step_num, const int &atoms_num)
Definition: export_files.cpp:349
void calcTimes(const int &nprocs)
Definition: export_files.cpp:330
double tmd_min
Definition: export_files.h:187
void resetKMCtimeVariables()
Definition: export_files.cpp:318
double t_hybrid
Definition: export_files.h:184
double t_md
Definition: export_files.h:184
double thybrid_total
Definition: export_files.h:188
void calcKMCtime(const int &nprocs)
Definition: export_files.cpp:304
void setHybridStartTimeStamp()
Definition: export_files.cpp:227
void init()
Definition: export_files.cpp:212
double tkmc_max
Definition: export_files.h:186
ExecTime()
Definition: export_files.cpp:206
double thybrid_max
Definition: export_files.h:185
double t1_md
Definition: export_files.h:184
void resetMDtimeVariables()
Definition: export_files.cpp:290
void resetHybridTimeVariables()
Definition: export_files.cpp:252
double t1_hybrid
Definition: export_files.h:184
double tkmc_min
Definition: export_files.h:186
double t2_md
Definition: export_files.h:184
double tmd_avg
Definition: export_files.h:187
double t_kmc
Definition: export_files.h:184
double thybrid_avg
Definition: export_files.h:185
~ExecTime()
Definition: export_files.cpp:208
double tkmc_avg
Definition: export_files.h:186
void calcHybridTime(const int &nprocs)
Definition: export_files.cpp:234
double tkmc_total
Definition: export_files.h:188
double tmd_total
Definition: export_files.h:188
void calcMDtime(const int &nprocs)
Definition: export_files.cpp:272
General parent file class. Any PAPRECA export file should be a child to this class.
Definition: export_files.h:41
void setActive()
Definition: export_files.cpp:34
File()
Definition: export_files.cpp:29
void setPrintFreq(const int &print_freq_in)
Definition: export_files.cpp:37
bool is_active
Definition: export_files.h:64
void setIncative()
Definition: export_files.cpp:35
const int getPrintFreq() const
Definition: export_files.cpp:38
std::ofstream file
Definition: export_files.h:63
virtual void close()
Definition: export_files.cpp:33
virtual ~File()
Definition: export_files.cpp:31
const bool isActive() const
Definition: export_files.cpp:36
int print_freq
Definition: export_files.h:65
Child class of File, manages heightVtime.log files.
Definition: export_files.h:91
void append(const double &time, const double &film_height)
Definition: export_files.cpp:92
void init()
Definition: export_files.cpp:78
HeightVtime()
Definition: export_files.cpp:73
~HeightVtime()
Definition: export_files.cpp:75
Child class of File, manages papreca.log files.
Definition: export_files.h:70
~Log()
Definition: export_files.cpp:44
void init()
Definition: export_files.cpp:47
void append(const int &KMC_loopid, const double &time, const char *event_type)
Definition: export_files.cpp:63
Log()
Definition: export_files.cpp:43
Class storing settings and global variables for the PAPRECA run.
Definition: papreca_config.h:51
Child class of File, manages surface_coverage.log files.
Definition: export_files.h:110
void init()
Definition: export_files.cpp:109
~SurfaceCoverage()
Definition: export_files.cpp:106
SurfaceCoverage()
Definition: export_files.cpp:104
void append(const double &time, const double &surface_coverage)
Definition: export_files.cpp:123