 ../
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selection/
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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antlr/
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2970
(18 years ago)
by gezelter:
starting change of file formats
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profiling/
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3342
(16 years ago)
by gezelter:
updating configure process
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restraints/
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3342
(16 years ago)
by gezelter:
updating configure process
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constraints/
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3342
(16 years ago)
by gezelter:
updating configure process
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minimizers/
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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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mdParser/
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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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lattice/
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3446
(16 years ago)
by cli2:
Inversion fixes and amber mostly working
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visitors/
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3448
(16 years ago)
by gezelter:
Added some logic to print out a special pair distance as a column in
the stat file. To use this feature, use taggedAtomPair = "0, 10" and
printTaggedPairDistance = "true" in the md file. Then, the distance
between integrableObjects 0 and 10 will be computed and printed in
the stat file on each statWrite.
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types/
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3463
(15 years ago)
by chuckv:
Returned old LD forces to SMIPDForceManager.
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primitives/
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3466
(15 years ago)
by gezelter:
many changes to keep track of particle potentials for both bonded and non-bonded interactions
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UseTheForce/
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3470
(15 years ago)
by gezelter:
General bug-fixes and other changes to make particle pots work with
the Helfand Energy correlation function
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utils/
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3478
(15 years ago)
by gezelter:
added viscoConvert
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applications/
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3479
(15 years ago)
by gezelter:
use the viscoConvert in OOPSEConstant
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hydrodynamics/
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3479
(15 years ago)
by gezelter:
use the viscoConvert in OOPSEConstant
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math/
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3482
(15 years ago)
by chuckv:
Different method again for Langevin Dynamics.
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io/
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3486
(15 years ago)
by gezelter:
Added keywords for RNEMD
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brains/
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3487
(15 years ago)
by gezelter:
adding support for RNEMD
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integrators/
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3489
(15 years ago)
by skuang:
Added handlers to Integrator to call RNEMD at the right times. Added initialization
to RNEMD to make sure values from the MD file are available.
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config.h.in
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3343
(16 years ago)
by gezelter:
fixing configure process
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