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implement better pair style name detection in pair style hybrid arguments

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This commit is contained in:
Axel Kohlmeyer
2020-05-29 20:38:59 -04:00
parent d173ea4ad9
commit 549ffda4d8
1 changed files with 8 additions and 2 deletions
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10
src/pair_hybrid.cpp
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@ -313,7 +313,7 @@ void PairHybrid::settings(int narg, char **arg)
iarg = 0; iarg = 0;
nstyles = 0; nstyles = 0;
while (iarg < narg) { while (iarg < narg) {
if (strncmp(arg[iarg],"hybrid",6) == 0) if (utils::strmatch(arg[iarg],"^hybrid"))
error->all(FLERR,"Pair style hybrid cannot have hybrid as an argument"); error->all(FLERR,"Pair style hybrid cannot have hybrid as an argument");
if (strcmp(arg[iarg],"none") == 0) if (strcmp(arg[iarg],"none") == 0)
error->all(FLERR,"Pair style hybrid cannot have none as an argument"); error->all(FLERR,"Pair style hybrid cannot have none as an argument");
@ -323,8 +323,14 @@ void PairHybrid::settings(int narg, char **arg)
special_lj[nstyles] = special_coul[nstyles] = NULL; special_lj[nstyles] = special_coul[nstyles] = NULL;
compute_tally[nstyles] = 1; compute_tally[nstyles] = 1;
// determine list of arguments for pair style settings
// by looking for the next known pair style name.
jarg = iarg + 1; jarg = iarg + 1;
while (jarg < narg && !force->pair_map->count(arg[jarg])) jarg++; while ((jarg < narg)
&& !force->pair_map->count(arg[jarg])
&& !lmp->match_style("pair",arg[jarg])) jarg++;
styles[nstyles]->settings(jarg-iarg-1,&arg[iarg+1]); styles[nstyles]->settings(jarg-iarg-1,&arg[iarg+1]);
iarg = jarg; iarg = jarg;
nstyles++; nstyles++;