MESMER Code

Brought to you by: chrismorl, struanr

Commit [r315] Maximize Restore History

Sketch of contracted basis method added.

Authored by: struanr 2009-02-22

Browse code at this revision

Parent: [r314]

Child: [r316]

changed	/trunk/ChangeLog
changed	/trunk/MesmerQA/pentyl/pentyl_isomerization_basisset_test.xml
changed	/trunk/src/AssociationReaction.h
changed	/trunk/src/IrreversibleExchangeReaction.h
changed	/trunk/src/IrreversibleUnimolecularReaction.h
changed	/trunk/src/IsomerizationReaction.cpp
changed	/trunk/src/IsomerizationReaction.h
changed	/trunk/src/MolecularComponents.cpp
changed	/trunk/src/MolecularComponents.h
changed	/trunk/src/Reaction.h
changed	/trunk/src/ReactionManager.cpp
changed	/trunk/src/ReactionManager.h
changed	/trunk/src/System.cpp

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/trunk/MesmerQA/pentyl/pentyl_isomerization_basisset_test.xml Diff Switch to side-by-side view

/trunk/src/AssociationReaction.h Diff Switch to side-by-side view

/trunk/src/IrreversibleExchangeReaction.h Diff Switch to side-by-side view

/trunk/src/IrreversibleUnimolecularReaction.h Diff Switch to side-by-side view

/trunk/src/IsomerizationReaction.cpp Diff Switch to side-by-side view

/trunk/src/IsomerizationReaction.h Diff Switch to side-by-side view

/trunk/src/MolecularComponents.cpp Diff Switch to side-by-side view

/trunk/src/MolecularComponents.h Diff Switch to side-by-side view

/trunk/src/Reaction.h Diff Switch to side-by-side view

/trunk/src/ReactionManager.cpp Diff Switch to side-by-side view

/trunk/src/ReactionManager.h Diff Switch to side-by-side view

/trunk/src/System.cpp Diff Switch to side-by-side view