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Author: gezelter
Date: Wed Jan 23 03:45:33 2008 UTC (16 years, 4 months ago)
Log Message:
Removed older version of openbabel from our code.  We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need.  Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.

Changed paths

Path Details
Directorytrunk/OOPSE-4/ac-tools/CGAL.m4 modified , text changed
Directorytrunk/OOPSE-4/ac-tools/OOPSE.m4 modified , text changed
Directorytrunk/OOPSE-4/ac-tools/configure.in modified , text changed
Directorytrunk/OOPSE-4/configure modified , text changed
Directorytrunk/OOPSE-4/forceFields/SMARTS_InteLigand.txt deleted
Directorytrunk/OOPSE-4/forceFields/aromatic.txt deleted
Directorytrunk/OOPSE-4/forceFields/atomtyp.txt deleted
Directorytrunk/OOPSE-4/forceFields/bondtyp.txt deleted
Directorytrunk/OOPSE-4/forceFields/isotope-small.txt deleted
Directorytrunk/OOPSE-4/forceFields/isotope.txt deleted
Directorytrunk/OOPSE-4/forceFields/patterns.txt deleted
Directorytrunk/OOPSE-4/forceFields/phmodel.txt deleted
Directorytrunk/OOPSE-4/forceFields/resdata.txt deleted
Directorytrunk/OOPSE-4/forceFields/torlib.txt deleted
Directorytrunk/OOPSE-4/forceFields/types.txt deleted
Directorytrunk/OOPSE-4/make/Makefile.in modified , text changed
Directorytrunk/OOPSE-4/src/applications/atom2md/Makefile deleted
Directorytrunk/OOPSE-4/src/applications/atom2md/Makefile.in added
Directorytrunk/OOPSE-4/src/applications/atom2md/atom2md.cpp modified , text changed
Directorytrunk/OOPSE-4/src/applications/atom2md/obmolecformat.cpp added
Directorytrunk/OOPSE-4/src/applications/atom2md/oopseformat.cpp added
Directorytrunk/OOPSE-4/src/applications/hydrodynamics/BeadModel.hpp modified , text changed
Directorytrunk/OOPSE-4/src/applications/hydrodynamics/ShapeBuilder.hpp modified , text changed
Directorytrunk/OOPSE-4/src/brains/Register.cpp modified , text changed
Directorytrunk/OOPSE-4/src/brains/Register.hpp modified , text changed
Directorytrunk/OOPSE-4/src/config.h.in modified , text changed
Directorytrunk/OOPSE-4/src/integrators/LDForceManager.cpp modified , text changed
Directorytrunk/OOPSE-4/src/integrators/SMLDForceManager.cpp modified , text changed
Directorytrunk/OOPSE-4/src/openbabel/ deleted
Directorytrunk/OOPSE-4/src/primitives/Element.hpp added
Directorytrunk/OOPSE-4/src/primitives/Makefile modified , text changed
Directorytrunk/OOPSE-4/src/utils/ElementsTable.cpp added
Directorytrunk/OOPSE-4/src/utils/ElementsTable.hpp added
Directorytrunk/OOPSE-4/src/utils/Makefile.in modified , text changed