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r1210
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Atom.cpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
Atom.hpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
Bend.cpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
Bend.hpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
Bond.hpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
CutoffGroup.hpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
DirectionalAtom.cpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
DirectionalAtom.hpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
Element.hpp 1210 (17 years ago) by gezelter: 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.
GhostBend.cpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
GhostBend.hpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
GhostTorsion.cpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
GhostTorsion.hpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
Makefile 1210 (17 years ago) by gezelter: 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.
Molecule.cpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
Molecule.hpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
RigidBody.cpp 1126 (18 years ago) by gezelter: Massive update to do virials (both atomic and cutoff-group) correctly. The rigid body constraint contributions had been missing and this was masked by the use of cutoff groups...
RigidBody.hpp 1126 (18 years ago) by gezelter: Massive update to do virials (both atomic and cutoff-group) correctly. The rigid body constraint contributions had been missing and this was masked by the use of cutoff groups...
StuntDouble.cpp 1024 (18 years ago) by tim: Massive changes preparing for release of OOPSE-4: The main difference is that the new MD file format (.md, .dump, .eor) now contains meta-data information along with the configuration information.
StuntDouble.hpp 1112 (18 years ago) by chuckv: Changes to add thetacorr to dynamic props and fixes to radial rcorr.
Torsion.cpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
Torsion.hpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
UreyBradleyBend.cpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
UreyBradleyBend.hpp 963 (19 years ago) by tim: Adding single precision capabilities to c++ side
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