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/* ----------------------------------------------------------------------
This is the
██╗ ██╗ ██████╗ ██████╗ ██████╗ ██╗ ██╗████████╗███████╗
██║ ██║██╔════╝ ██╔════╝ ██╔════╝ ██║ ██║╚══██╔══╝██╔════╝
██║ ██║██║ ███╗██║ ███╗██║ ███╗███████║ ██║ ███████╗
██║ ██║██║ ██║██║ ██║██║ ██║██╔══██║ ██║ ╚════██║
███████╗██║╚██████╔╝╚██████╔╝╚██████╔╝██║ ██║ ██║ ███████║
╚══════╝╚═╝ ╚═════╝ ╚═════╝ ╚═════╝ ╚═╝ ╚═╝ ╚═╝ ╚══════╝®
DEM simulation engine, released by
DCS Computing Gmbh, Linz, Austria
http://www.dcs-computing.com, office@dcs-computing.com
LIGGGHTS® is part of CFDEM®project:
http://www.liggghts.com | http://www.cfdem.com
Core developer and main author:
Christoph Kloss, christoph.kloss@dcs-computing.com
LIGGGHTS® is open-source, distributed under the terms of the GNU Public
License, version 2 or later. It is distributed in the hope that it will
be useful, but WITHOUT ANY WARRANTY; without even the implied warranty
of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. You should have
received a copy of the GNU General Public License along with LIGGGHTS®.
If not, see http://www.gnu.org/licenses . See also top-level README
and LICENSE files.
LIGGGHTS® and CFDEM® are registered trade marks of DCS Computing GmbH,
the producer of the LIGGGHTS® software and the CFDEM®coupling software
See http://www.cfdem.com/terms-trademark-policy for details.
-------------------------------------------------------------------------
Contributing author and copyright for this file:
This file is from LAMMPS, but has been modified. Copyright for
modification:
Copyright 2016- DCS Computing GmbH, Linz
Copyright of original file:
Contributing author: Axel Kohlmeyer (Temple U)
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
------------------------------------------------------------------------- */
#include <string.h>
#include "info.h"
#include "atom.h"
#include "comm.h"
#include "compute.h"
#include "domain.h"
#include "dump.h"
#include "fix.h"
#include "force.h"
#include "pair.h"
#include "pair_hybrid.h"
#include "group.h"
#include "input.h"
#include "modify.h"
#include "neighbor.h"
#include "output.h"
#include "region.h"
#include "universe.h"
#include "variable.h"
#include "update.h"
#include "error.h"
#include <time.h>
#ifdef _WIN32
#define PSAPI_VERSION 1
#include <windows.h>
#include <stdint.h>
#include <psapi.h>
#else
#include <sys/time.h>
#include <sys/resource.h>
#include <sys/utsname.h>
#endif
#if defined __linux
#include <malloc.h>
#endif
namespace LAMMPS_NS {
// same as in variable.cpp
enum {INDEX,LOOP,WORLD,UNIVERSE,ULOOP,STRING,GETENV,
SCALARFILE,ATOMFILE,FORMAT,EQUAL,ATOM,PYTHON};
enum {COMPUTES=1<<0,
DUMPS=1<<1,
FIXES=1<<2,
GROUPS=1<<3,
REGIONS=1<<4,
CONFIG=1<<5,
TIME=1<<6,
VARIABLES=1<<7,
SYSTEM=1<<8,
COMM=1<<9,
ALL=~0};
}
static const char *varstyles[] = {
"index", "loop", "world", "universe", "uloop", "string", "getenv",
"file", "atomfile", "format", "equal", "atom", "python", "(unknown)"};
static const char *mapstyles[] = { "none", "array", "hash" };
static const char *commstyles[] = { "brick", "tiled" };
static const char bstyles[] = "pfsm";
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
void Info::command(int narg, char **arg)
{
FILE *out=screen;
int flags=0;
if (comm->me != 0) return;
// parse arguments
int idx = 0;
while (idx < narg) {
if (strncmp(arg[idx],"all",3) == 0) {
flags |= ALL;
++idx;
} else if ((idx+1 < narg) && (strncmp(arg[idx],"out",3) == 0)
&& (strncmp(arg[idx+1],"screen",3) == 0)) {
if ((out != screen) && (out != logfile)) fclose(out);
out = screen;
idx += 2;
} else if ((idx+1 < narg) && (strncmp(arg[idx],"out",3) == 0)
&& (strncmp(arg[idx+1],"log",3) == 0)) {
if ((out != screen) && (out != logfile)) fclose(out);
out = logfile;
idx += 2;
} else if ((idx+2 < narg) && (strncmp(arg[idx],"out",3) == 0)
&& (strncmp(arg[idx+1],"append",3) == 0)) {
if ((out != screen) && (out != logfile)) fclose(out);
out = fopen(arg[idx+2],"a");
idx += 3;
} else if ((idx+2 < narg) && (strncmp(arg[idx],"out",3) == 0)
&& (strncmp(arg[idx+1],"overwrite",3) == 0)) {
if ((out != screen) && (out != logfile)) fclose(out);
out = fopen(arg[idx+2],"w");
idx += 3;
} else if (strncmp(arg[idx],"communication",4) == 0) {
flags |= COMM;
++idx;
} else if (strncmp(arg[idx],"computes",4) == 0) {
flags |= COMPUTES;
++idx;
} else if (strncmp(arg[idx],"dumps",3) == 0) {
flags |= DUMPS;
++idx;
} else if (strncmp(arg[idx],"fixes",3) == 0) {
flags |= FIXES;
++idx;
} else if (strncmp(arg[idx],"groups",3) == 0) {
flags |= GROUPS;
++idx;
} else if (strncmp(arg[idx],"regions",3) == 0) {
flags |= REGIONS;
++idx;
} else if (strncmp(arg[idx],"config",3) == 0) {
flags |= CONFIG;
++idx;
} else if (strncmp(arg[idx],"time",3) == 0) {
flags |= TIME;
++idx;
} else if (strncmp(arg[idx],"variables",3) == 0) {
flags |= VARIABLES;
++idx;
} else if (strncmp(arg[idx],"system",3) == 0) {
flags |= SYSTEM;
++idx;
} else {
error->warning(FLERR,"Ignoring unknown or incorrect info command flag");
++idx;
}
}
if (out == NULL) return;
fputs("\nInfo-Info-Info-Info-Info-Info-Info-Info-Info-Info-Info\n",out);
time_t now = time(NULL);
fprintf(out,"Printed on %s\n",ctime(&now));
if (flags & CONFIG) {
fprintf(out,"\nLIGGGHTS(R) version: %s\n", universe->version);
fprintf(out,"sizeof(smallint): %3d-bit\n",(int)sizeof(smallint)*8);
//fprintf(out,"sizeof(imageint): %3d-bit\n",(int)sizeof(imageint)*8);
fprintf(out,"sizeof(tagint): %3d-bit\n",(int)sizeof(tagint)*8);
fprintf(out,"sizeof(bigint): %3d-bit\n",(int)sizeof(bigint)*8);
#if defined(_WIN32)
DWORD fullversion,majorv,minorv,buildv=0;
fullversion = GetVersion();
majorv = (DWORD) (LOBYTE(LOWORD(fullversion)));
minorv = (DWORD) (HIBYTE(LOWORD(fullversion)));
if (fullversion < 0x80000000)
buildv = (DWORD) (HIWORD(fullversion));
SYSTEM_INFO si;
GetSystemInfo(&si);
const char *machine;
switch (si.wProcessorArchitecture) {
case PROCESSOR_ARCHITECTURE_AMD64:
machine = (const char *) "x86_64";
break;
case PROCESSOR_ARCHITECTURE_ARM:
machine = (const char *) "arm";
break;
case PROCESSOR_ARCHITECTURE_IA64:
machine = (const char *) "ia64";
break;
case PROCESSOR_ARCHITECTURE_INTEL:
machine = (const char *) "i386";
break;
default:
machine = (const char *) "(unknown)";
}
fprintf(out,"\nOS information: Windows %d.%d (%d) on %s\n",
majorv,minorv,buildv,machine);
#else
struct utsname ut;
uname(&ut);
fprintf(out,"\nOS information: %s %s on %s\n",
ut.sysname, ut.release, ut.machine);
#endif
fprintf(out,"\nMemory allocation information (MPI rank 0)\n");
#if defined(_WIN32)
/*HANDLE phandle = GetCurrentProcess();
PROCESS_MEMORY_COUNTERS_EX pmc;
GetProcessMemoryInfo(phandle,(PROCESS_MEMORY_COUNTERS *)&pmc,sizeof(pmc));
fprintf(out,"Non-shared memory use: %.3g Mbyte\n",
(double)pmc.PrivateUsage/1048576.0);
fprintf(out,"Maximum working set size: %.3g Mbyte\n",
(double)pmc.PeakWorkingSetSize/1048576.0);*/
#else
#if defined(__linux)
struct mallinfo mi;
mi = mallinfo();
fprintf(out,"Total dynamically allocated memory: %.3g Mbyte\n",
(double)mi.uordblks/1048576.0);
#endif
struct rusage ru;
if (getrusage(RUSAGE_SELF, &ru) == 0) {
fprintf(out,"Maximum resident set size: %.3g Mbyte\n",
(double)ru.ru_maxrss/1024.0);
}
#endif
}
if (flags & COMM) {
int major,minor;
MPI_Get_version(&major,&minor);
fprintf(out,"\nCommunication information:\n");
if (major == -1 && minor == -1)
fprintf(out,"Not using MPI (serial version through mpi stub)");
else
fprintf(out,"MPI library level: MPI v%d.%d\n",major,minor);
fprintf(out,"Comm style = %s\n",
commstyles[comm->style]);
fprintf(out,"Communicate velocities for ghost atoms = %s\n",
comm->ghost_velocity ? "yes" : "no");
if (comm->style == 0) {
fprintf(out,"Communication style = single\n");
fprintf(out,"Communication cutoff = %g\n",
MAX(comm->cutghostuser,neighbor->cutneighmax));
}
if (comm->style == 1) {
fprintf(out,"Communication style = multi\n");
/*double cut;
for (int i=1; i <= atom->ntypes && neighbor->cuttype; ++i) {
cut = neighbor->cuttype[i];
if (comm->cutusermulti) cut = MAX(cut,comm->cutusermulti[i]);
fprintf(out,"Communication cutoff for type %d = %g\n", i, cut);
}*/
}
fprintf(out,"Nprocs = %d Nthreads = %d\n",
comm->nprocs, comm->nthreads);
fprintf(out,"Processor grid = %d x %d x %d\n",comm->procgrid[0],
comm->procgrid[1], comm->procgrid[2]);
}
if (flags & SYSTEM) {
fprintf(out,"\nSystem information:\n");
fprintf(out,"Units = %s\n",update->unit_style);
fprintf(out,"Atom style = %s\n", atom->atom_style);
fprintf(out,"Atom map = %s\n", mapstyles[atom->map_style]);
if (atom->molecular > 0) {
const char *msg;
msg = (atom->molecular == 2) ? "template" : "standard";
fprintf(out,"Molecule type = %s\n",msg);
}
fprintf(out,"Atoms = " BIGINT_FORMAT ", types = %d, style = %s\n",
atom->natoms, atom->ntypes, force->pair_style);
if (force->pair && strstr(force->pair_style,"hybrid")) {
PairHybrid *hybrid = (PairHybrid *)force->pair;
fprintf(out,"Hybrid sub-styles:");
for (int i=0; i < hybrid->nstyles; ++i)
fprintf(out," %s", hybrid->keywords[i]);
fputc('\n',out);
}
if (atom->molecular > 0) {
const char *msg;
msg = force->bond_style ? force->bond_style : "none";
fprintf(out,"Bonds = " BIGINT_FORMAT ", types = %d, style = %s\n",
atom->nbonds, atom->nbondtypes, msg);
msg = force->angle_style ? force->angle_style : "none";
fprintf(out,"Angles = " BIGINT_FORMAT ", types = %d, style = %s\n",
atom->nangles, atom->nangletypes, msg);
msg = force->dihedral_style ? force->dihedral_style : "none";
fprintf(out,"Dihedrals = " BIGINT_FORMAT ", types = %d, style = %s\n",
atom->ndihedrals, atom->ndihedraltypes, msg);
msg = force->improper_style ? force->improper_style : "none";
fprintf(out,"Impropers = " BIGINT_FORMAT ", types = %d, style = %s\n",
atom->nimpropers, atom->nimpropertypes, msg);
const double * const special_lj = force->special_lj;
const double * const special_coul = force->special_coul;
fprintf(out,"Special bond factors lj = %-10g %-10g %-10g\n"
"Special bond factors coul = %-10g %-10g %-10g\n",
special_lj[1],special_lj[2],special_lj[3],
special_coul[1],special_coul[2],special_coul[3]);
}
fprintf(out,"Kspace style = %s\n",
force->kspace ? force->kspace_style : "none");
if (domain->box_exist) {
fprintf(out,"\nDimensions = %d\n",domain->dimension);
fprintf(out,"%s box = %g x %g x %g\n",
domain->triclinic ? "Triclinic" : "Orthogonal",
domain->xprd, domain->yprd, domain->zprd);
fprintf(out,"Boundaries = %c,%c %c,%c %c,%c\n",
bstyles[domain->boundary[0][0]],bstyles[domain->boundary[0][1]],
bstyles[domain->boundary[1][0]],bstyles[domain->boundary[1][1]],
bstyles[domain->boundary[2][0]],bstyles[domain->boundary[2][1]]);
fprintf(out,"Xlo, zhi = %g, %g\n", domain->boxlo[0], domain->boxhi[0]);
fprintf(out,"Ylo, zhi = %g, %g\n", domain->boxlo[1], domain->boxhi[1]);
fprintf(out,"Zlo, zhi = %g, %g\n", domain->boxlo[2], domain->boxhi[2]);
if (domain->triclinic)
fprintf(out,"Xy, xz, yz = %g, %g, %g\n",
domain->xy, domain->xz, domain->yz);
} else {
fputs("\nBox has not yet been created\n",out);
}
}
if (flags & GROUPS) {
int ngroup = group->ngroup;
char **names = group->names;
//int *dynamic = group->dynamic;
fprintf(out,"\nGroup information:\n");
for (int i=0; i < ngroup; ++i) {
if (names[i])
fprintf(out,"Group[%2d]: %s \n",//(%s)\n",
i, names[i]);//, dynamic[i] ? "dynamic" : "static");
}
}
if (flags & REGIONS) {
int nreg = domain->nregion;
Region **regs = domain->regions;
fprintf(out,"\nRegion information:\n");
for (int i=0; i < nreg; ++i) {
fprintf(out,"Region[%3d]: %s, style = %s, side = %s\n",
i, regs[i]->id, regs[i]->style,
regs[i]->interior ? "in" : "out");
}
}
if (flags & COMPUTES) {
int ncompute = modify->ncompute;
Compute **compute = modify->compute;
char **names = group->names;
fprintf(out,"\nCompute information:\n");
for (int i=0; i < ncompute; ++i) {
fprintf(out,"Compute[%3d]: %s, style = %s, group = %s\n",
i, compute[i]->id, compute[i]->style,
names[compute[i]->igroup]);
}
}
if (flags & DUMPS) {
int ndump = output->ndump;
Dump **dump = output->dump;
int *nevery = output->every_dump; \
char **vnames = output->var_dump;
char **names = group->names;
fprintf(out,"\nDump information:\n");
for (int i=0; i < ndump; ++i) {
fprintf(out,"Dump[%3d]: %s, file = %s, style = %s, group = %s, ",
i, dump[i]->id, dump[i]->filename,
dump[i]->style, names[dump[i]->igroup]);
if (nevery[i]) {
fprintf(out,"every = %d\n", nevery[i]);
} else {
fprintf(out,"every = %s\n", vnames[i]);
}
}
}
if (flags & FIXES) {
int nfix = modify->nfix;
Fix **fix = modify->fix;
char **names = group->names;
fprintf(out,"\nFix information:\n");
for (int i=0; i < nfix; ++i) {
fprintf(out,"Fix[%3d]: %s, style = %s, group = %s\n",
i, fix[i]->id, fix[i]->style, names[fix[i]->igroup]);
}
}
if (flags & VARIABLES) {
int nvar = input->variable->nvar;
int *style = input->variable->style;
char **names = input->variable->names;
char ***data = input->variable->data;
fprintf(out,"\nVariable information:\n");
for (int i=0; i < nvar; ++i) {
int ndata = 1;
fprintf(out,"Variable[%3d]: %-10s style = %-10s def =",
i,names[i],varstyles[style[i]]);
if ((style[i] != LOOP) && (style[i] != ULOOP))
ndata = input->variable->num[i];
for (int j=0; j < ndata; ++j)
fprintf(out," %s",data[i][j]);
fputs("\n",out);
}
}
if (flags & TIME) {
double wallclock = MPI_Wtime() - lmp->initclock;
double cpuclock = 0.0;
#if defined(_WIN32)
// from MSD docs.
FILETIME ct,et,kt,ut;
union { FILETIME ft; uint64_t ui; } cpu;
if (GetProcessTimes(GetCurrentProcess(),&ct,&et,&kt,&ut)) {
cpu.ft = ut;
cpuclock = cpu.ui * 0.0000001;
}
#else /* POSIX */
struct rusage ru;
if (getrusage(RUSAGE_SELF, &ru) == 0) {
cpuclock = (double) ru.ru_utime.tv_sec;
cpuclock += (double) ru.ru_utime.tv_usec * 0.000001;
}
#endif /* ! _WIN32 */
int cpuh,cpum,cpus,wallh,wallm,walls;
cpus = fmod(cpuclock,60.0);
cpuclock = (cpuclock - cpus) / 60.0;
cpum = fmod(cpuclock,60.0);
cpuh = (cpuclock - cpum) / 60.0;
walls = fmod(wallclock,60.0);
wallclock = (wallclock - walls) / 60.0;
wallm = fmod(wallclock,60.0);
wallh = (wallclock - wallm) / 60.0;
fprintf(out,"\nTotal time information (MPI rank 0):\n"
" CPU time: %4d:%02d:%02d\n"
" Wall time: %4d:%02d:%02d\n",
cpuh,cpum,cpus,wallh,wallm,walls);
}
fputs("\nInfo-Info-Info-Info-Info-Info-Info-Info-Info-Info-Info\n\n",out);
// close output file pointer if opened locally thus forcing a hard sync.
if ((out != screen) && (out != logfile))
fclose(out);
}
/* ---------------------------------------------------------------------- */
// the is_active() function returns true if the selected style or name
// in the selected category is currently in use.
bool Info::is_active(const char *category, const char *name)
{
if ((category == NULL) || (name == NULL)) return false;
const char *style = "none";
const int len = strlen(name);
if (strcmp(category,"package") == 0) {
/*if (strcmp(name,"cuda") == 0) {
return (lmp->cuda && lmp->cuda->cuda_exists) ? true : false;
} else if (strcmp(name,"gpu") == 0) {
return (modify->find_fix("package_gpu") >= 0) ? true : false;
} else if (strcmp(name,"intel") == 0) {
return (modify->find_fix("package_intel") >= 0) ? true : false;
} else if (strcmp(name,"kokkos") == 0) {
return (lmp->kokkos && lmp->kokkos->kokkos_exists) ? true : false;
} else if (strcmp(name,"omp") == 0) {
return (modify->find_fix("package_omp") >= 0) ? true : false;
} else */error->all(FLERR,"Unknown name for info package category");
} else if (strcmp(category,"newton") == 0) {
if (strcmp(name,"pair") == 0) return (force->newton_pair != 0);
else if (strcmp(name,"bond") == 0) return (force->newton_bond != 0);
else if (strcmp(name,"any") == 0) return (force->newton != 0);
else error->all(FLERR,"Unknown name for info newton category");
} else if (strcmp(category,"pair") == 0) {
if (force->pair == NULL) return false;
if (strcmp(name,"single") == 0) return (force->pair->single_enable != 0);
else if (strcmp(name,"respa") == 0) return (force->pair->respa_enable != 0);
else if (strcmp(name,"manybody") == 0) return (force->pair->manybody_flag != 0);
else if (strcmp(name,"tail") == 0) return (force->pair->tail_flag != 0);
else if (strcmp(name,"shift") == 0) return (force->pair->offset_flag != 0);
else error->all(FLERR,"Unknown name for info pair category");
} else if (strcmp(category,"comm_style") == 0) {
style = commstyles[comm->style];
} else if (strcmp(category,"min_style") == 0) {
style = update->minimize_style;
} else if (strcmp(category,"run_style") == 0) {
style = update->integrate_style;
} else if (strcmp(category,"atom_style") == 0) {
style = atom->atom_style;
} else if (strcmp(category,"pair_style") == 0) {
style = force->pair_style;
} else if (strcmp(category,"bond_style") == 0) {
style = force->bond_style;
} else if (strcmp(category,"angle_style") == 0) {
style = force->angle_style;
} else if (strcmp(category,"dihedral_style") == 0) {
style = force->dihedral_style;
} else if (strcmp(category,"improper_style") == 0) {
style = force->improper_style;
} else if (strcmp(category,"kspace_style") == 0) {
style = force->kspace_style;
} else error->all(FLERR,"Unknown category for info is_active()");
int match = 0;
if (strcmp(style,name) == 0) match = 1;
if (!match && lmp->suffix_enable) {
if (lmp->suffix) {
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix)];
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix);
if (strcmp(style,name_w_suffix) == 0) match = 1;
delete[] name_w_suffix;
}
/*if (!match && lmp->suffix2) {
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix2)];
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix2);
if (strcmp(style,name_w_suffix) == 0) match = 1;
delete[] name_w_suffix;
}*/
}
return match ? true : false;
}
/* ---------------------------------------------------------------------- */
// the is_available() function returns true if the selected style
// or name in the selected category is available for use (but need
// not be currently active).
bool Info::is_available(const char *category, const char *name)
{
if ((category == NULL) || (name == NULL)) return false;
const int len = strlen(name);
int match = 0;
if (strcmp(category,"command") == 0) {
if (input->command_map->find(name) != input->command_map->end())
match = 1;
} else if (strcmp(category,"compute") == 0) {
if (modify->compute_map->find(name) != modify->compute_map->end())
match = 1;
if (!match && lmp->suffix_enable) {
if (lmp->suffix) {
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix)];
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix);
if (modify->compute_map->find(name_w_suffix) != modify->compute_map->end())
match = 1;
delete[] name_w_suffix;
}
/*if (!match && lmp->suffix2) {
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix2)];
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix2);
if (modify->compute_map->find(name_w_suffix) != modify->compute_map->end())
match = 1;
delete[] name_w_suffix;
}*/
}
} else if (strcmp(category,"fix") == 0) {
if (modify->fix_map->find(name) != modify->fix_map->end())
match = 1;
if (!match && lmp->suffix_enable) {
if (lmp->suffix) {
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix)];
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix);
if (modify->fix_map->find(name_w_suffix) != modify->fix_map->end())
match = 1;
delete[] name_w_suffix;
}
/*if (!match && lmp->suffix2) {
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix2)];
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix2);
if (modify->fix_map->find(name_w_suffix) != modify->fix_map->end())
match = 1;
delete[] name_w_suffix;
}*/
}
} else if (strcmp(category,"pair_style") == 0) {
if (force->pair_map->find(name) != force->pair_map->end())
match = 1;
if (!match && lmp->suffix_enable) {
if (lmp->suffix) {
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix)];
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix);
if (force->pair_map->find(name_w_suffix) != force->pair_map->end())
match = 1;
delete[] name_w_suffix;
}
/*if (!match && lmp->suffix2) {
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix2)];
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix2);
if (force->pair_map->find(name_w_suffix) != force->pair_map->end())
match = 1;
delete[] name_w_suffix;
}*/
}
} else error->all(FLERR,"Unknown category for info is_available()");
return match ? true : false;
}
/* ---------------------------------------------------------------------- */
// the is_defined() function returns true if a particular ID of the
// selected category (e.g. fix ID, group ID, region ID etc.) has been
// defined and thus can be accessed. It does *NOT* check whether a
// particular ID has a particular style.
bool Info::is_defined(const char *category, const char *name)
{
if ((category == NULL) || (name == NULL)) return false;
if (strcmp(category,"compute") == 0) {
int ncompute = modify->ncompute;
Compute **compute = modify->compute;
for (int i=0; i < ncompute; ++i) {
if (strcmp(compute[i]->id,name) == 0)
return true;
}
} else if (strcmp(category,"dump") == 0) {
int ndump = output->ndump;
Dump **dump = output->dump;
for (int i=0; i < ndump; ++i) {
if (strcmp(dump[i]->id,name) == 0)
return true;
}
} else if (strcmp(category,"fix") == 0) {
int nfix = modify->nfix;
Fix **fix = modify->fix;
for (int i=0; i < nfix; ++i) {
if (strcmp(fix[i]->id,name) == 0)
return true;
}
} else if (strcmp(category,"group") == 0) {
int ngroup = group->ngroup;
char **names = group->names;
for (int i=0; i < ngroup; ++i) {
if (strcmp(names[i],name) == 0)
return true;
}
} else if (strcmp(category,"region") == 0) {
int nreg = domain->nregion;
Region **regs = domain->regions;
for (int i=0; i < nreg; ++i) {
if (strcmp(regs[i]->id,name) == 0)
return true;
}
} else if (strcmp(category,"variable") == 0) {
int nvar = input->variable->nvar;
char **names = input->variable->names;
for (int i=0; i < nvar; ++i) {
if (strcmp(names[i],name) == 0)
return true;
}
} else error->all(FLERR,"Unknown category for info is_defined()");
return false;
}
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