add support to fix adapt for angle coeffs

This commit is contained in:
Steve Plimpton
2022-04-21 17:00:11 -06:00
parent aebbd04297
commit 3f3c481554
14 changed files with 202 additions and 57 deletions

View File

@ -353,3 +353,15 @@ 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();
}