[XtalOpt-devel] [dlonie/XtalOpt] 69bd1b: Fix tickets 24-25 concerning Structure::addAtomRan...

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Mon Jun 14 07:05:56 PDT 2010


Branch: refs/heads/master
Home:   https://github.com/dlonie/XtalOpt

Commit: 69bd1becaf972d0eb8aba980eac12eef85ccebc3
    https://github.com/dlonie/XtalOpt/commit/69bd1becaf972d0eb8aba980eac12eef85ccebc3
Author: David Lonie <loniedavid at gmail.com>
Date:   2010-06-14 (Mon, 14 Jun 2010)

Changed paths:
  M src/globalsearch/structure.cpp
  M src/globalsearch/structure.h
  M src/xtalopt/structures/xtal.cpp
  M src/xtalopt/structures/xtal.h

Log Message:
-----------
Fix tickets 24-25 concerning Structure::addAtomRandomly

maxattempts argument changed to int, and a point to the atom is returned.


Commit: a74c216bd032a2eadfec9ee1a00ec057376007ce
    https://github.com/dlonie/XtalOpt/commit/a74c216bd032a2eadfec9ee1a00ec057376007ce
Author: David Lonie <loniedavid at gmail.com>
Date:   2010-06-14 (Mon, 14 Jun 2010)

Changed paths:
  M src/globalsearch/structure.cpp
  M src/globalsearch/structure.h
  M src/xtalopt/structures/xtal.cpp
  M src/xtalopt/structures/xtal.h

Log Message:
-----------
Merge branch 'ticket/24-25/addAtomRandomly'


Commit: cbb12d57349db5ad0b14447b2928f1bfbeae0871
    https://github.com/dlonie/XtalOpt/commit/cbb12d57349db5ad0b14447b2928f1bfbeae0871
Author: David Lonie <loniedavid at gmail.com>
Date:   2010-06-14 (Mon, 14 Jun 2010)

Changed paths:
  M src/globalsearch/optbase.cpp
  M src/globalsearch/optimizer.cpp
  M src/globalsearch/queuemanager.cpp
  M src/globalsearch/tracker.cpp
  M src/randomdock/randomdock.h
  M src/randomdock/structures/matrix.cpp
  M src/randomdock/structures/matrix.h
  M src/randomdock/structures/scene.cpp
  M src/randomdock/structures/substrate.cpp
  M src/randomdock/structures/substrate.h
  M src/randomdock/templates.cpp
  M src/randomdock/ui/dialog.cpp
  M src/randomdock/ui/tab_conformers.cpp
  M src/randomdock/ui/tab_edit.cpp
  M src/randomdock/ui/tab_edit.h
  M src/randomdock/ui/tab_init.cpp
  M src/randomdock/ui/tab_log.cpp
  M src/randomdock/ui/tab_params.cpp
  M src/randomdock/ui/tab_plot.cpp
  M src/randomdock/ui/tab_progress.cpp
  M src/xtalopt/extension.cpp
  M src/xtalopt/optimizers/vasp.cpp
  M src/xtalopt/structures/xtal.cpp
  M src/xtalopt/testing/xtalopttest.cpp
  M src/xtalopt/ui/tab_edit.cpp
  M src/xtalopt/ui/tab_opt.cpp
  M src/xtalopt/ui/tab_plot.h
  M src/xtalopt/xtalopt.cpp

Log Message:
-----------
Cleaned up whitespace.





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