Constructing local atom sets for density fitting
authorChristian Blau <cblau@gwdg.de>
Mon, 26 Aug 2019 21:54:09 +0000 (23:54 +0200)
committerPaul Bauer <paul.bauer.q@gmail.com>
Fri, 30 Aug 2019 15:28:59 +0000 (17:28 +0200)
commitd7d84c60391501129d0fe4403963df9ced70fd4d
tree7aff1d83aac33f307d60f584b1c48bdf048a8cfe
parent76335a3392a6027ff69b49f8b2abd4957a432e61
Constructing local atom sets for density fitting

Constructs local atom sets for density fitting during simulation
setup.

refs #2282

Change-Id: I0300376a6818f3ad8bb6474b09a9b0f1cbb46eae
src/gromacs/applied_forces/densityfitting.cpp