Changeset 4b4ef4 for src/documentation

Timestamp:

May 18, 2017, 7:15:06 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_goodresults, ForceAnnealing_tocheck

Children:

b1f995

Parents:

396aab

git-author:

Frederik Heber <frederik.heber@…> (05/14/17 21:08:41)

git-committer:

Frederik Heber <frederik.heber@…> (05/18/17 19:15:06)

Message:

Rewrite of StretchBondAction to take bondgraph into account.

• i.e. we now look at the bond graph of the molecule to find all atoms on either side of the bond and shift each set accordingly.
• this functionality needs to be refactored into a distinct class lateron.
• TESTS: Added new test case on cyclic bond with benzene.

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