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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11032 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-11-21 15:43:36 +00:00
parent 517055b6fc
commit c2060ea7ac
2 changed files with 65 additions and 49 deletions
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110
src/lammps.cpp
View File

@ -420,7 +420,7 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
// if helpflag set, print help and quit // if helpflag set, print help and quit
if (helpflag) { if (helpflag) {
if (universe->me == 0) print_styles(); if (universe->me == 0 && screen) help();
error->done(); error->done();
} }
} }
@ -560,124 +560,140 @@ void LAMMPS::destroy()
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
for each style, print name of all child classes built into executable help message for command line options and styles present in executable
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void LAMMPS::print_styles() void LAMMPS::help()
{ {
printf("\nList of style options included in this executable:\n\n"); fprintf(screen,
"\nCommand line options:\n\n"
"-cuda on/off : turn CUDA mode on or off (-c)\n"
"-echo none/screen/log/both : echoing of input script (-e)\n"
"-in filename : read input from file, not stdin (-i)\n"
"-help : print this help message (-h)\n"
"-log none/filename : where to send log output (-l)\n"
"-nocite : disable writing log.cite file (-nc)\n"
"-partition size1 size2 ... : assign partition sizes (-p)\n"
"-plog basename : basename for partition logs (-pl)\n"
"-pscreen basename : basename for partition screens (-ps)\n"
"-reorder topology-specs : processor reordering (-r)\n"
"-screen none/filename : where to send screen output (-sc)\n"
"-suffix cuda/gpu/opt/omp : style suffix to apply (-sf)\n"
"-var varname value : set index style variable (-v)\n\n");
fprintf(screen,"Style options compiled with this executable\n\n");
int pos = 80; int pos = 80;
printf("* Atom styles:\n"); fprintf(screen,"* Atom styles:\n");
#define ATOM_CLASS #define ATOM_CLASS
#define AtomStyle(key,Class) print_column(#key,pos); #define AtomStyle(key,Class) print_style(#key,pos);
#include "style_atom.h" #include "style_atom.h"
#undef ATOM_CLASS #undef ATOM_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* Integrate styles:\n"); fprintf(screen,"* Integrate styles:\n");
#define INTEGRATE_CLASS #define INTEGRATE_CLASS
#define IntegrateStyle(key,Class) print_column(#key,pos); #define IntegrateStyle(key,Class) print_style(#key,pos);
#include "style_integrate.h" #include "style_integrate.h"
#undef INTEGRATE_CLASS #undef INTEGRATE_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* Minimize styles:\n"); fprintf(screen,"* Minimize styles:\n");
#define MINIMIZE_CLASS #define MINIMIZE_CLASS
#define MinimizeStyle(key,Class) print_column(#key,pos); #define MinimizeStyle(key,Class) print_style(#key,pos);
#include "style_minimize.h" #include "style_minimize.h"
#undef MINIMIZE_CLASS #undef MINIMIZE_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* Pair styles:\n"); fprintf(screen,"* Pair styles:\n");
#define PAIR_CLASS #define PAIR_CLASS
#define PairStyle(key,Class) print_column(#key,pos); #define PairStyle(key,Class) print_style(#key,pos);
#include "style_pair.h" #include "style_pair.h"
#undef PAIR_CLASS #undef PAIR_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* Bond styles:\n"); fprintf(screen,"* Bond styles:\n");
#define BOND_CLASS #define BOND_CLASS
#define BondStyle(key,Class) print_column(#key,pos); #define BondStyle(key,Class) print_style(#key,pos);
#include "style_bond.h" #include "style_bond.h"
#undef BOND_CLASS #undef BOND_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* Angle styles:\n"); fprintf(screen,"* Angle styles:\n");
#define ANGLE_CLASS #define ANGLE_CLASS
#define AngleStyle(key,Class) print_column(#key,pos); #define AngleStyle(key,Class) print_style(#key,pos);
#include "style_angle.h" #include "style_angle.h"
#undef ANGLE_CLASS #undef ANGLE_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* Dihedral styles:\n"); fprintf(screen,"* Dihedral styles:\n");
#define DIHEDRAL_CLASS #define DIHEDRAL_CLASS
#define DihedralStyle(key,Class) print_column(#key,pos); #define DihedralStyle(key,Class) print_style(#key,pos);
#include "style_dihedral.h" #include "style_dihedral.h"
#undef DIHEDRAL_CLASS #undef DIHEDRAL_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* Improper styles:\n"); fprintf(screen,"* Improper styles:\n");
#define IMPROPER_CLASS #define IMPROPER_CLASS
#define ImproperStyle(key,Class) print_column(#key,pos); #define ImproperStyle(key,Class) print_style(#key,pos);
#include "style_improper.h" #include "style_improper.h"
#undef IMPROPER_CLASS #undef IMPROPER_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* KSpace styles:\n"); fprintf(screen,"* KSpace styles:\n");
#define KSPACE_CLASS #define KSPACE_CLASS
#define KSpaceStyle(key,Class) print_column(#key,pos); #define KSpaceStyle(key,Class) print_style(#key,pos);
#include "style_kspace.h" #include "style_kspace.h"
#undef KSPACE_CLASS #undef KSPACE_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* Fix styles\n"); fprintf(screen,"* Fix styles\n");
#define FIX_CLASS #define FIX_CLASS
#define FixStyle(key,Class) print_column(#key,pos); #define FixStyle(key,Class) print_style(#key,pos);
#include "style_fix.h" #include "style_fix.h"
#undef FIX_CLASS #undef FIX_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* Compute styles:\n"); fprintf(screen,"* Compute styles:\n");
#define COMPUTE_CLASS #define COMPUTE_CLASS
#define ComputeStyle(key,Class) print_column(#key,pos); #define ComputeStyle(key,Class) print_style(#key,pos);
#include "style_compute.h" #include "style_compute.h"
#undef COMPUTE_CLASS #undef COMPUTE_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* Region styles:\n"); fprintf(screen,"* Region styles:\n");
#define REGION_CLASS #define REGION_CLASS
#define RegionStyle(key,Class) print_column(#key,pos); #define RegionStyle(key,Class) print_style(#key,pos);
#include "style_region.h" #include "style_region.h"
#undef REGION_CLASS #undef REGION_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* Dump styles:\n"); fprintf(screen,"* Dump styles:\n");
#define DUMP_CLASS #define DUMP_CLASS
#define DumpStyle(key,Class) print_column(#key,pos); #define DumpStyle(key,Class) print_style(#key,pos);
#include "style_dump.h" #include "style_dump.h"
#undef DUMP_CLASS #undef DUMP_CLASS
printf("\n\n"); fprintf(screen,"\n\n");
pos = 80; pos = 80;
printf("* Command styles\n"); fprintf(screen,"* Command styles\n");
#define COMMAND_CLASS #define COMMAND_CLASS
#define CommandStyle(key,Class) print_column(#key,pos); #define CommandStyle(key,Class) print_style(#key,pos);
#include "style_command.h" #include "style_command.h"
#undef COMMAND_CLASS #undef COMMAND_CLASS
printf("\n"); fprintf(screen,"\n");
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
@ -685,7 +701,7 @@ void LAMMPS::print_styles()
skip any style that starts with upper-case letter, since internal skip any style that starts with upper-case letter, since internal
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void LAMMPS::print_column(const char *str, int &pos) void LAMMPS::print_style(const char *str, int &pos)
{ {
if (isupper(str[0])) return; if (isupper(str[0])) return;

4
src/lammps.h
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@ -57,8 +57,8 @@ class LAMMPS {
void destroy(); void destroy();
private: private:
void print_styles(); void help();
void print_column(const char *, int &); void print_style(const char *, int &);
}; };
} }