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Merge branch 'master' into symbolic-atom-constants

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Axel Kohlmeyer
2020-09-15 17:44:31 -04:00
parent 618b08dcfc cebf6d33ba
commit 0f6a34775c
1186 changed files with 8448 additions and 8360 deletions
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src/atom_vec.cpp
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@ -2060,7 +2060,7 @@ void AtomVec::write_vel(FILE *fp, int n, double **buf)
}
/* ----------------------------------------------------------------------
pack bond info for data file into buf if non-NULL
pack bond info for data file into buf if non-nullptr
return count of bonds from this proc
do not count/pack bonds with bondtype = 0
if bondtype is negative, flip back to positive
@ -2118,7 +2118,7 @@ void AtomVec::write_bond(FILE *fp, int n, tagint **buf, int index)
}
/* ----------------------------------------------------------------------
pack angle info for data file into buf if non-NULL
pack angle info for data file into buf if non-nullptr
return count of angles from this proc
do not count/pack angles with angletype = 0
if angletype is negative, flip back to positive