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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11029 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-11-20 18:47:02 +00:00
parent 16e11bfd6e
commit 643a6c0c56
2 changed files with 80 additions and 32 deletions
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110
src/lammps.cpp
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@ -209,9 +209,11 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
error->universe_one(FLERR,"Cannot open universe screen file");
}
if (logflag == 0) {
universe->ulogfile = fopen("log.lammps","w");
if (universe->ulogfile == NULL)
error->universe_warn(FLERR,"Cannot open log.lammps for writing");
if (helpflag == 0) {
universe->ulogfile = fopen("log.lammps","w");
if (universe->ulogfile == NULL)
error->universe_warn(FLERR,"Cannot open log.lammps for writing");
}
} else if (strcmp(arg[logflag],"none") == 0)
universe->ulogfile = NULL;
else {
@ -557,108 +559,152 @@ void LAMMPS::destroy()
}
/* ----------------------------------------------------------------------
for each style, print name of all child classes build into executable
for each style, print name of all child classes built into executable
------------------------------------------------------------------------- */
void LAMMPS::print_styles()
{
printf("\nList of style options included in this executable:\n\n");
printf("Atom styles:");
int pos = 80;
printf("* Atom styles:\n");
#define ATOM_CLASS
#define AtomStyle(key,Class) printf(" %s",#key);
#define AtomStyle(key,Class) print_column(#key,pos);
#include "style_atom.h"
#undef ATOM_CLASS
printf("\n\n");
printf("Integrate styles:");
pos = 80;
printf("* Integrate styles:\n");
#define INTEGRATE_CLASS
#define IntegrateStyle(key,Class) printf(" %s",#key);
#define IntegrateStyle(key,Class) print_column(#key,pos);
#include "style_integrate.h"
#undef INTEGRATE_CLASS
printf("\n\n");
printf("Minimize styles:");
pos = 80;
printf("* Minimize styles:\n");
#define MINIMIZE_CLASS
#define MinimizeStyle(key,Class) printf(" %s",#key);
#define MinimizeStyle(key,Class) print_column(#key,pos);
#include "style_minimize.h"
#undef MINIMIZE_CLASS
printf("\n\n");
printf("Pair styles:");
pos = 80;
printf("* Pair styles:\n");
#define PAIR_CLASS
#define PairStyle(key,Class) printf(" %s",#key);
#define PairStyle(key,Class) print_column(#key,pos);
#include "style_pair.h"
#undef PAIR_CLASS
printf("\n\n");
printf("Bond styles:");
pos = 80;
printf("* Bond styles:\n");
#define BOND_CLASS
#define BondStyle(key,Class) printf(" %s",#key);
#define BondStyle(key,Class) print_column(#key,pos);
#include "style_bond.h"
#undef BOND_CLASS
printf("\n\n");
printf("Angle styles:");
pos = 80;
printf("* Angle styles:\n");
#define ANGLE_CLASS
#define AngleStyle(key,Class) printf(" %s",#key);
#define AngleStyle(key,Class) print_column(#key,pos);
#include "style_angle.h"
#undef ANGLE_CLASS
printf("\n\n");
printf("Dihedral styles:");
pos = 80;
printf("* Dihedral styles:\n");
#define DIHEDRAL_CLASS
#define DihedralStyle(key,Class) printf(" %s",#key);
#define DihedralStyle(key,Class) print_column(#key,pos);
#include "style_dihedral.h"
#undef DIHEDRAL_CLASS
printf("\n\n");
printf("Improper styles:");
pos = 80;
printf("* Improper styles:\n");
#define IMPROPER_CLASS
#define ImproperStyle(key,Class) printf(" %s",#key);
#define ImproperStyle(key,Class) print_column(#key,pos);
#include "style_improper.h"
#undef IMPROPER_CLASS
printf("\n\n");
printf("KSpace styles:");
pos = 80;
printf("* KSpace styles:\n");
#define KSPACE_CLASS
#define KSpaceStyle(key,Class) printf(" %s",#key);
#define KSpaceStyle(key,Class) print_column(#key,pos);
#include "style_kspace.h"
#undef KSPACE_CLASS
printf("\n\n");
printf("Fix styles (upper case are only for internal use):");
pos = 80;
printf("* Fix styles (upper case are only for internal use):\n");
#define FIX_CLASS
#define FixStyle(key,Class) printf(" %s",#key);
#define FixStyle(key,Class) print_column(#key,pos);
#include "style_fix.h"
#undef FIX_CLASS
printf("\n\n");
printf("Compute styles:");
pos = 80;
printf("* Compute styles: (upper case are only for internal use):\n");
#define COMPUTE_CLASS
#define ComputeStyle(key,Class) printf(" %s",#key);
#define ComputeStyle(key,Class) print_column(#key,pos);
#include "style_compute.h"
#undef COMPUTE_CLASS
printf("\n\n");
printf("Region styles:");
pos = 80;
printf("* Region styles:\n");
#define REGION_CLASS
#define RegionStyle(key,Class) printf(" %s",#key);
#define RegionStyle(key,Class) print_column(#key,pos);
#include "style_region.h"
#undef REGION_CLASS
printf("\n\n");
printf("Dump styles:");
pos = 80;
printf("* Dump styles:\n");
#define DUMP_CLASS
#define DumpStyle(key,Class) printf(" %s",#key);
#define DumpStyle(key,Class) print_column(#key,pos);
#include "style_dump.h"
#undef DUMP_CLASS
printf("\n\n");
printf("Command styles (add-on input script commands):");
pos = 80;
printf("* Command styles (add-on input script commands):\n");
#define COMMAND_CLASS
#define CommandStyle(key,Class) printf(" %s",#key);
#define CommandStyle(key,Class) print_column(#key,pos);
#include "style_command.h"
#undef COMMAND_CLASS
printf("\n");
}
/* ----------------------------------------------------------------------
print style names in columns
------------------------------------------------------------------------- */
void LAMMPS::print_column(const char *str, int &pos)
{
int len = strlen(str);
if (pos+len > 80) {
fprintf(screen,"\n");
pos = 0;
}
if (len < 16) {
fprintf(screen,"%-16s",str);
pos += 16;
} else if (len < 32) {
fprintf(screen,"%-32s",str);
pos += 32;
} else if (len < 48) {
fprintf(screen,"%-48s",str);
pos += 48;
} else if (len < 64) {
fprintf(screen,"%-64s",str);
pos += 64;
} else {
fprintf(screen,"%-80s",str);
pos += 80;
}
}