 ../
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Inversion.cpp
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3460
(15 years ago)
by cli2:
Fixes for Inversions for use with Amber
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Bond.hpp
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3446
(15 years ago)
by cli2:
Inversion fixes and amber mostly working
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Torsion.cpp
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3446
(15 years ago)
by cli2:
Inversion fixes and amber mostly working
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Element.hpp
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3437
(16 years ago)
by gezelter:
Many fixes
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Molecule.cpp
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3432
(16 years ago)
by gezelter:
Changes for implementing Amber force field: Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.
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Inversion.hpp
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3430
(16 years ago)
by cli2:
Changes required for Inversions and Base Atom types. This will
break OOPSE badly for a few days or so...
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Makefile
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3430
(16 years ago)
by cli2:
Changes required for Inversions and Base Atom types. This will
break OOPSE badly for a few days or so...
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Molecule.hpp
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3430
(16 years ago)
by cli2:
Changes required for Inversions and Base Atom types. This will
break OOPSE badly for a few days or so...
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StuntDouble.cpp
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3397
(16 years ago)
by chuckv:
Checking in changes for Hefland moment calculations
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StuntDouble.hpp
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3397
(16 years ago)
by chuckv:
Checking in changes for Hefland moment calculations
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GhostTorsion.cpp
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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Bend.cpp
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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Atom.cpp
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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GhostTorsion.hpp
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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DirectionalAtom.hpp
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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DirectionalAtom.cpp
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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RigidBody.cpp
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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GhostBend.hpp
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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Atom.hpp
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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CutoffGroup.hpp
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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GhostBend.cpp
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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Bend.hpp
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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RigidBody.hpp
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3126
(17 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...
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UreyBradleyBend.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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Torsion.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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UreyBradleyBend.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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