[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.





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