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mc_input.h
executable file
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mc_input.h
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#ifndef _MC_INPUT_H
#define _MC_INOUT_H 1
#include <stdlib.h>
const char FINPUT[]="qmc.input"; // input params file
// some parameters from this file can be stored in a config file
#include "mc_confg.h"
//enum IOStatus {IORead=0,IOWrite=1}; // not portable ?
const int IORead = 0;
const int IOWrite = 1;
void IOReadParams (const char [],int &);
void StatusIO(int, const char []); // save/restore status of simulation
void ConfigIO(int, const char []); // save/restore init configuration
void TablesIO(int, const char []); // save/restore permutation tables
void QWormsIO(int, const char []); // save/restore status of the worm
extern string MasterDir;
extern string OutputDir;
extern string FNPrefix;
extern string MCFileName; // OutputDir+FNPrefix
//----IO errors----------------------------------------------
const char IO_ERR_FOPEN[] = "Can't open input file";
const char IO_ERR_FEXST[] = "File already exists:";
const char IO_ERR_WMODE[] = "Wrong IO mode";
const char IO_ERR_SCALL[] = "Error of the system call";
inline void _io_error(const char proc [],const char error[], const char file_name[])
{
// cerr
cout << endl;
cout << proc << " : " <<error<<" ["<<file_name<<"]" << endl;
cout << endl;
exit(1);
}
// ---- PARAMETERS TO CONTROL INPUT/OUTPUT --------
const int IO_BLOCKNUMB_WIDTH = 3;
const int IO_PRECISION = 6;
const int IO_WIDTH = 14; // width > precision + 4 + 3
const int IO_WIDTH_BLOCK = 4; // io width to save counters
void io_setout(fstream &, int=IO_PRECISION);
int FileExist (const char []);
void IOFileBackUp(const char []);
void IOFileDelete(const char []);
// ------ XYZ DATA FILES --------------------------
const char IO_COM_XYZ[] = "xyz format: [atom type] x y z (Angstrom) ";
const char IO_EXT_XYZ[] = ".xyz"; // extension
void IOxyz(int, const char []);
const char IO_EXT_DMP[] = ".dump"; // extra extension for data dumps
// ----------- ESTIMATORS ------------------------
const char IO_EXT_GRA [] = ".gra"; // radial pair distribution
const char IO_EXT_GRI [] = ".gri"; // radial density around impurity
const char IO_EXT_GRT [] = ".grt"; // theta angular density around impurity
const char IO_EXT_GRC [] = ".grc"; // chi angular density around impurity
const char IO_EXT_GTC [] = ".gtc"; // theta and chi angular density around impurity
const char IO_EXT_REP [] = ".eulphi"; // relative euler angle phi
const char IO_EXT_REC [] = ".eulchi"; // relative euler angle chi
const char IO_EXT_RET [] = ".eulthe"; // relative euler angle chi
const char IO_EXT_RCF [] = ".rcf"; // rotational correlation functions
const char IO_EXT_DENS2D [] = ".g2d"; // 2D density
const char IO_EXT_DENS3D [] = ".g3d"; // 3D density
const char IO_EXT_ENG [] = ".eng"; // energy
const char IO_EXT_PRL [] = ".prl"; // distribution of exchange lengths
const char IO_EXT_SUP [] = ".sup"; // area estimators
const char IO_EXT_MFFSUP3D [] = ".mffs3d"; // area estimators for non-linear rotor in dopant-fixed frame
const char IO_EXT_SFFSUP3D [] = ".sffs3d"; // area estimators for non-linear rotor in space-fixed frame
const char FPERMU [] = "permutation.tab"; // permutation table
const char IO_SUM [] = "_sum"; // file name postfix for accum averages
#endif //mc_input.h