simulate.h

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#ifndef SIMULATE_H
#define SIMULATE_H
 
#include "ascot5.h"
#include "B_field.h"
#include "E_field.h"
#include "plasma.h"
#include "neutral.h"
#include "wall.h"
#include "boozer.h"
#include "mhd.h"
#include "asigma.h"
#include "nbi.h"
#include "diag.h"
#include "random.h"
#include "simulate/mccc/mccc.h"

enum SIMULATION_MODE {
    simulate_mode_fo = 1,
    simulate_mode_gc = 2,
    simulate_mode_hybrid = 3,
    simulate_mode_ml = 4
};

typedef struct {
    /* Input and diagnostic interfaces */
    B_field_data B_data;       
    E_field_data E_data;       
    plasma_data plasma_data;   
    neutral_data neutral_data; 
    wall_data wall_data;       
    boozer_data boozer_data;   
    mhd_data mhd_data;         
    asigma_data asigma_data;   
    nbi_data nbi_data;         
    diag_data diag_data;       
 
    /* Metadata */
    random_data random_data;   
    mccc_data mccc_data;       
 
    /* Options - general */
    int sim_mode;        
    int enable_ada;      
    int record_mode;     
 
    /* Options - fixed time-step */
    int fix_usrdef_use;    
    real fix_usrdef_val;   
    int fix_gyrodef_nstep; 
 
    /* Options - adaptive time-step */
    real ada_tol_orbfol;       
    real ada_tol_clmbcol;      
    real ada_max_drho;         
    real ada_max_dphi;         
 
    /* Options - physics */
    int enable_orbfol;         
    int enable_clmbcol;        
    int enable_mhd;            
    int enable_atomic;         
    int disable_gctransform;   
    int disable_energyccoll;   
    int disable_pitchccoll;    
    int disable_gcdiffccoll;   
    int reverse_time;          
 
    /* Options - end conditions */
    int endcond_active;       
    real endcond_lim_simtime; 
    real endcond_max_mileage; 
    real endcond_max_cputime; 
    real endcond_min_rho;     
    real endcond_max_rho;     
    real endcond_min_ekin;    
    real endcond_min_thermal; 
    real endcond_max_tororb;  
    real endcond_max_polorb;  
    int endcond_torandpol;    
 
    /* Metadata */
    char hdf5_in[256];     
    char hdf5_out[256];    
    char qid[256];         
    char description[256]; 
 
    int mpi_root; 
    int mpi_rank; 
    int mpi_size; 
 
    /* QIDs for inputs if the active inputs are not used */
    char qid_options[256]; 
    char qid_bfield[256];  
    char qid_efield[256];  
    char qid_marker[256];  
    char qid_wall[256];    
    char qid_plasma[256];  
    char qid_neutral[256]; 
    char qid_boozer[256];  
    char qid_mhd[256];     
    char qid_asigma[256];  
    char qid_nbi[256];     
 
} sim_data;
 
void simulate_init(sim_data* sim);
 
void simulate(int n_particles, particle_state* p, sim_data* sim);
 
#endif