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clarified doc pages for fix property/atom and read_data

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This commit is contained in:
Steve Plimpton
2021-08-19 11:34:25 -06:00
parent 1c67561be8
commit 9470a0eeb6
5 changed files with 41 additions and 40 deletions
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2
src/dump_custom.cpp
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@ -1551,8 +1551,6 @@ int DumpCustom::parse_fields(int narg, char **arg)
n = atom->find_custom(name,flag,cols);
printf("NAME %s\n",name);
if (n < 0)
error->all(FLERR,"Could not find custom per-atom property ID: {}", name);
if (argindex[iarg] == 0) {

33
src/read_data.cpp
View File

@ -509,21 +509,6 @@ void ReadData::command(int narg, char **arg)
while (strlen(keyword)) {
// if special fix matches, it processes section
if (nfix) {
int i;
for (i = 0; i < nfix; i++)
if (strcmp(keyword,fix_section[i]) == 0) {
if (firstpass) fix(fix_index[i],keyword);
else skip_lines(modify->fix[fix_index[i]]->
read_data_skip_lines(keyword));
parse_keyword(0);
break;
}
if (i < nfix) continue;
}
if (strcmp(keyword,"Atoms") == 0) {
atomflag = 1;
if (firstpass) {
@ -728,8 +713,22 @@ void ReadData::command(int narg, char **arg)
if (firstpass) impropercoeffs(1);
else skip_lines(nimpropertypes);
} else error->all(FLERR,"Unknown identifier in data file: {}",
keyword);
// if specified fix matches, it processes section
} else if (nfix) {
int i;
for (i = 0; i < nfix; i++)
if (strcmp(keyword,fix_section[i]) == 0) {
if (firstpass) fix(fix_index[i],keyword);
else skip_lines(modify->fix[fix_index[i]]->
read_data_skip_lines(keyword));
parse_keyword(0);
break;
}
if (i == nfix)
error->all(FLERR,"Unknown identifier in data file: {}",keyword);
} else error->all(FLERR,"Unknown identifier in data file: {}",keyword);
parse_keyword(0);
}

6
src/utils.cpp
View File

@ -656,9 +656,9 @@ int utils::expand_args(const char *file, int line, int narg, char **arg, int mod
}
}
printf("NEWARG %d\n",newarg);
for (int i = 0; i < newarg; i++)
printf(" arg %d: %s\n",i,earg[i]);
//printf("NEWARG %d\n",newarg);
//for (int i = 0; i < newarg; i++)
// printf(" arg %d: %s\n",i,earg[i]);
return newarg;
}