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support special case where number of data lines from fix is number of added atoms

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This commit is contained in:
Axel Kohlmeyer
2022-11-19 14:01:10 -05:00
parent b39842ba23
commit 442eeb9f52
2 changed files with 9 additions and 5 deletions
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4
src/fix_property_atom.cpp
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@ -325,12 +325,12 @@ void FixPropertyAtom::read_data_section(char *keyword, int n, char *buf, tagint
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
return # of lines in section of data file labeled by keyword return # of lines in section of data file labeled by keyword. -1 signals use # of added atoms
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
bigint FixPropertyAtom::read_data_skip_lines(char * /*keyword*/) bigint FixPropertyAtom::read_data_skip_lines(char * /*keyword*/)
{ {
return atom->natoms; return -1;
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------

10
src/read_data.cpp
View File

@ -875,10 +875,13 @@ void ReadData::command(int narg, char **arg)
int i; int i;
for (i = 0; i < nfix; i++) for (i = 0; i < nfix; i++)
if (strcmp(keyword, fix_section[i]) == 0) { if (strcmp(keyword, fix_section[i]) == 0) {
if (firstpass) if (firstpass) {
fix(fix_index[i], keyword); fix(fix_index[i], keyword);
else } else {
skip_lines(fix_index[i]->read_data_skip_lines(keyword)); auto nskip = fix_index[i]->read_data_skip_lines(keyword);
if (nskip < 0) nskip = natoms;
skip_lines(nskip);
}
break; break;
} }
if (i == nfix) if (i == nfix)
@ -2225,6 +2228,7 @@ void ReadData::fix(Fix *ifix, char *keyword)
int nchunk, eof; int nchunk, eof;
bigint nline = ifix->read_data_skip_lines(keyword); bigint nline = ifix->read_data_skip_lines(keyword);
if (nline < 0) nline = natoms;
bigint nread = 0; bigint nread = 0;
while (nread < nline) { while (nread < nline) {