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Merge branch 'develop' into general-triclinic

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# Conflicts:
#	src/atom.cpp
This commit is contained in:
Axel Kohlmeyer
2024-02-06 19:21:50 -05:00
parent 7905e5d146 b9ec85427d
commit dbdcfc5c97
356 changed files with 8055 additions and 5135 deletions
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17
src/read_data.cpp
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@ -1584,8 +1584,23 @@ void ReadData::atoms()
void ReadData::velocities()
{
bigint nread = 0;
int nchunk, eof;
// cannot map velocities to atoms without atom IDs
if (!atom->tag_enable) {
if (me == 0) utils::logmesg(lmp, " skipping velocities without atom IDs ...\n");
while (nread < natoms) {
nchunk = MIN(natoms - nread, CHUNK);
eof = utils::read_lines_from_file(fp, nchunk, MAXLINE, buffer, me, world);
if (eof) error->all(FLERR, "Unexpected end of data file");
nread += nchunk;
}
return;
}
if (me == 0) utils::logmesg(lmp, " reading velocities ...\n");
int mapflag = 0;
@ -1595,8 +1610,6 @@ void ReadData::velocities()
atom->map_set();
}
bigint nread = 0;
while (nread < natoms) {
nchunk = MIN(natoms - nread, CHUNK);
eof = utils::read_lines_from_file(fp, nchunk, MAXLINE, buffer, me, world);