Issue warning when atom has tiny mass but is part of a COM group 57/4557/2
authorGiacomo Fiorin <giacomo.fiorin@gmail.com>
Fri, 7 Sep 2018 16:00:55 +0000 (12:00 -0400)
committerGiacomo Fiorin <giacomo.fiorin@gmail.com>
Fri, 7 Sep 2018 23:15:04 +0000 (19:15 -0400)
commitecfe5b072585d94fed8d65d2b74e4fc3a61dde16
tree89d32d7140337e050af0fb02a0d7b413318385fc
parentfdf7ea563b479a16b1889e8aaa211ebf9f4340d6
Issue warning when atom has tiny mass but is part of a COM group

The current check is for masses <= 0.001, thus catching fixed-up zero
masses and unfixed lone pairs.

Making this into an error may break somebody's calculations, but the
warning should help troubleshooting future problems.

Change-Id: I219e9861c7da3925faa2fd63df52120ac18d730a
src/GlobalMasterServer.C