biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: 11b5a65) | patch
Fixing issues with replica exchange
authorMichael Shirts <michael.shirts@virginia.edu>
Tue, 11 Sep 2012 03:11:49 +0000 (23:11 -0400)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 12 Oct 2012 01:03:44 +0000 (12:03 +1100)
commit6a9499a93b5b3cf7034742ad89471a63e2f953ae
tree32afa840cc06e4e23c53ff8b3cc3042a3e0869fdtree | snapshot
parent11b5a654b19d9a3aee2e4ef67fbd6dd5295598f4commit | diff
Fixing issues with replica exchange

Avoids unnecessary communication, clarifies variable names, restores
exchange statistics removed in c7a82654, fixes memory leaks, and some
other minor house-keeping noticed by Mark Abraham.

Fixes #1001

Change-Id: I8a9032e5946117d87f672e16cba525c5ed9720f9
src/kernel/repl_ex.c diff | blob | history
Local GROMACS mirror with custom stuff