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patch 13Dec16: neighbor refactor, Stan pppm/disp bug fix, M Brown INTEL package updates

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Steve Plimpton
2016-12-13 17:14:28 -07:00
parent 624c57e9da
commit f509f133af
14 changed files with 484 additions and 32 deletions
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15
src/modify.cpp
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@ -767,7 +767,8 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
if (strcmp(estyle,fix[ifix]->style) == 0) match = 1;
}
}
if (!match) error->all(FLERR,"Replacing a fix, but new style != old style");
if (!match) error->all(FLERR,
"Replacing a fix, but new style != old style");
if (fix[ifix]->igroup != igroup && comm->me == 0)
error->warning(FLERR,"Replacing a fix, but new group != old group");
@ -812,7 +813,11 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
fix[ifix] = fix_creator(lmp,narg,arg);
}
if (fix[ifix] == NULL) error->all(FLERR,"Unknown fix style");
if (fix[ifix] == NULL) {
char str[128];
sprintf(str,"Unknown fix style %s",arg[2]);
error->all(FLERR,str);
}
// check if Fix is in restart_global list
// if yes, pass state info to the Fix so it can reset itself
@ -994,7 +999,11 @@ void Modify::add_compute(int narg, char **arg, int trysuffix)
compute[ncompute] = compute_creator(lmp,narg,arg);
}
if (compute[ncompute] == NULL) error->all(FLERR,"Unknown compute style");
if (compute[ncompute] == NULL) {
char str[128];
sprintf(str,"Unknown compute style %s",arg[2]);
error->all(FLERR,str);
}
ncompute++;
}