Gaussian: change optdone to list of finished points; fix to atomcoords
Gaussian: indexing fix for optdone
Data: update optdone attribute info
Gaussian 09: adding example Opt=ModRedundant scan file
Orca: add optdone list, and populate with indexes when opts finish

* Once "FINAL ENERGY EVALUATION AT THE STATIONARY POINT" is printed,
  another single point at the new structure is performed. This is the
  structure that an index in optdone would point to.
Orca: remove assert statement related to finished optimizations

* Removed 'assert int(broken[2]) == len(self.atomcoords)'
* Assert statements "break" code, which seems undesirable. Better
  to handle the error gracefully and continue parsing file if
  possible.
Orca: adding example relaxed potential energy scan
Create unittest for PES scans (Gaussian and ORCA)
ORCA: make sure geotargets is parsed for scans
testScan: ORCA's extra variable should be 0 after investigation
Orca: fix to the example scan files

* ORCA counts atoms starting at 0, so every index involved in the
  scan was incorrect.
Add the scan test to the testall script
Scan test: pass over the testing of ORCA indexes
Order and update attributes list in ccData docstring
ccData: Generate _attrlist from _attrtypes
LogFile: set attributes using ccData.setattributes
ccData: check attribute types upon setting (resolves #63)
Merge pull request #64 from langner/typecheck

Data type checking
Merge remote-tracking branch 'adam/change_optdone' into change_optdone

Conflicts:
	src/cclib/parser/data.py
	test/testdata
Merge pull request #1 from langner/change_optdone

Update change_optdone pull request; merges cclib/master into this branch.