ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

programming style

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-05-14 17:56:12 -04:00
parent 1b552de1cd
commit 1f30d3f140
1 changed files with 4 additions and 7 deletions
Download Patch File Download Diff File Expand all files Collapse all files

11
src/pair_hybrid.cpp
View File

@ -332,7 +332,7 @@ void PairHybrid::settings(int narg, char **arg)
jarg = iarg + 1; jarg = iarg + 1;
while ((jarg < narg) while ((jarg < narg)
&& !force->pair_map->count(arg[jarg]) && !force->pair_map->count(arg[jarg])
&& !lmp->match_style("pair",arg[jarg])) 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;
@ -1010,8 +1010,7 @@ void PairHybrid::modify_special(int m, int /*narg*/, char **arg)
special[3] = utils::numeric(FLERR,arg[3],false,lmp); special[3] = utils::numeric(FLERR,arg[3],false,lmp);
if (styles[m]->suffix_flag & (Suffix::INTEL|Suffix::GPU)) if (styles[m]->suffix_flag & (Suffix::INTEL|Suffix::GPU))
error->all(FLERR,"Pair_modify special is not compatible with " error->all(FLERR,"Pair_modify special not compatible with suffix version of hybrid substyle");
"suffix version of hybrid substyle");
if (strcmp(arg[0],"lj/coul") == 0) { if (strcmp(arg[0],"lj/coul") == 0) {
if (!special_lj[m]) special_lj[m] = new double[4]; if (!special_lj[m]) special_lj[m] = new double[4];
@ -1090,13 +1089,11 @@ void *PairHybrid::extract(const char *str, int &dim)
ptr = styles[m]->extract(str,dim); ptr = styles[m]->extract(str,dim);
if (ptr && strcmp(str,"cut_coul") == 0) { if (ptr && strcmp(str,"cut_coul") == 0) {
if (couldim != -1 && dim != couldim) if (couldim != -1 && dim != couldim)
error->all(FLERR, error->all(FLERR, "Coulomb styles of pair hybrid sub-styles do not match");
"Coulomb styles of pair hybrid sub-styles do not match");
auto p_newvalue = (double *) ptr; auto p_newvalue = (double *) ptr;
double newvalue = *p_newvalue; double newvalue = *p_newvalue;
if (cutptr && (newvalue != cutvalue)) if (cutptr && (newvalue != cutvalue))
error->all(FLERR, error->all(FLERR, "Coulomb cutoffs of pair hybrid sub-styles do not match");
"Coulomb cutoffs of pair hybrid sub-styles do not match");
if (dim == 0) { if (dim == 0) {
cutptr = ptr; cutptr = ptr;
cutvalue = newvalue; cutvalue = newvalue;