Removing redundant k variables in npair

This commit is contained in:
Joel Clemmer
2020-11-29 19:57:14 -07:00
parent 2c79fbebe8
commit 8a0dac90ca
14 changed files with 152 additions and 185 deletions

View File

@ -245,6 +245,9 @@ void Comm::init()
// Can't used multi2 communication with Newton off
// TODO: need to somehow restrict this option with full neighbor lists
// CANNOT use multi2 communication with full nlist
// Could remove NP_NEWTON from npair_full_*multi2*, but could be cryptic
// Also could be cases where you want newton off (hybrid) but don't use multi2 comm
// Could add check on neighbor build, if full and comm->multi2 error...
if (force->newton == 0 && multi2)
error->all(FLERR,"Cannot use multi2 communication with Newton off");
}