cmdmode.h

c++编写的并行拉马克遗传算法的程序。实现分析对接程序

#ifndef CMDMODE
#define CMDMODE
#include "constants.h"
#include "set_cmd_io_std.h"
#include "print_2x.h"
#include "parse_com_line.h"
#include "strindex.h"
#include "print_avsfld.h"
#include "success.h"
#include "readPDBQ.h"
#include "get_atom_type.h"
#include "timesys.h"
#include "eintcal.h"
#include "trilinterp.h"
#include "qmultiply.h"
#include "cnv_state_to_coords.h"
#include "parse_trj_line.h"
#include "input_state.h"
#include "openfile.h"
int   cmdmode( int natom,
             Clock jobStart,
             struct tms tms_jobStart,
             float xlo,
             float ylo,
             float zlo,
             float xhi,
             float yhi,
             float zhi,
             float inv_spacing,
             float map[MAX_GRID_PTS][MAX_GRID_PTS][MAX_GRID_PTS][MAX_MAPS],
             float e_internal[NEINT][ATOM_MAPS][ATOM_MAPS],
             float WallEnergy,
             float vt[MAX_TORS][SPACE],
             int   tlist[MAX_TORS][MAX_ATOMS],
             int   ntor,
             int   Nnb,
             int   nonbondlist[MAX_NONBONDS][2],
             char  atomstuff[MAX_ATOMS][MAX_CHARS],
             float crdpdb[MAX_ATOMS][SPACE],
             char  hostnm[MAX_CHARS],
             int   type[MAX_ATOMS],
             float charge[MAX_ATOMS],
	     Boole B_calcIntElec,
	     float q1q2[MAX_NONBONDS],
	     char  atm_typ_str[ATOM_MAPS],
	     float torsFreeEnergy);
#endif