[XtalOpt-devel] [dlonie/XtalOpt] d46829: Added an OpenBabel UFF optimizer implementation.
noreply at github.com
noreply at github.com
Wed Jul 21 14:59:49 PDT 2010
Branch: refs/heads/GAPC
Home: https://github.com/dlonie/XtalOpt
Commit: d46829a55a9ed8572691cb5a314d90522d4a4610
https://github.com/dlonie/XtalOpt/commit/d46829a55a9ed8572691cb5a314d90522d4a4610
Author: David C. Lonie <loniedavid at gmail.com>
Date: 2010-07-21 (Wed, 21 Jul 2010)
Changed paths:
M src/gapc/CMakeLists.txt
M src/gapc/gapc.cpp
M src/gapc/gapc.h
A src/gapc/optimizers/openbabel.cpp
A src/gapc/optimizers/openbabel.h
M src/gapc/structures/cluster.cpp
M src/gapc/ui/tab_edit.cpp
M src/gapc/ui/tab_edit.ui
M src/gapc/ui/tab_progress.ui
Log Message:
-----------
Added an OpenBabel UFF optimizer implementation.
More information about the XtalOpt-Devel
mailing list