Merge remote-tracking branch 'github/develop' into amoeba-ak

# Conflicts:
#	doc/src/Commands_pair.rst
#	src/memory.h
This commit is contained in:
Axel Kohlmeyer
2022-04-28 20:08:18 -04:00
1535 changed files with 12607 additions and 40542 deletions

View File

@ -36,6 +36,7 @@ Angle::Angle(LAMMPS *_lmp) : Pointers(_lmp)
allocated = 0;
suffix_flag = Suffix::NONE;
born_matrix_enable = 0;
maxeatom = maxvatom = maxcvatom = 0;
eatom = nullptr;
@ -545,3 +546,14 @@ double Angle::memory_usage()
bytes += (double) comm->nthreads * maxcvatom * 9 * sizeof(double);
return bytes;
}
/* -----------------------------------------------------------------------
reset all type-based angle params via init()
-------------------------------------------------------------------------- */
void Angle::reinit()
{
if (!reinitflag) error->all(FLERR, "Fix adapt interface to this angle style not supported");
init();
}