 ../
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SMIPDForceManager.cpp
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3464
(15 years ago)
by chuckv:
More changes to SMIPD. Attempting to find memory leak.
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SMIPDForceManager.hpp
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3464
(15 years ago)
by chuckv:
More changes to SMIPD. Attempting to find memory leak.
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NVE.cpp
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3463
(15 years ago)
by chuckv:
Returned old LD forces to SMIPDForceManager.
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Makefile.in
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3458
(15 years ago)
by chuckv:
Fixed makefile.
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SMIPDynamics.cpp
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3451
(15 years ago)
by chuckv:
Adding back more missing files.
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SMIPDynamics.hpp
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3451
(15 years ago)
by chuckv:
Adding back more missing files.
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LDForceManager.cpp
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3450
(15 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
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VelocityVerletIntegrator.cpp
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3448
(15 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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NPT.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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NVT.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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LDForceManager.hpp
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3384
(16 years ago)
by gezelter:
Adding iterative looping to get better estimates of friction forces
from full-step velocities
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LangevinDynamics.cpp
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3384
(16 years ago)
by gezelter:
Adding iterative looping to get better estimates of friction forces
from full-step velocities
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DLM.cpp
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3325
(16 years ago)
by xsun:
Fixed Langevin Dynamics and DLM
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Velocitizer.cpp
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3055
(17 years ago)
by gezelter:
Added velocitizer utility program, added samples of its use to the
builder samples.
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NgammaT.hpp
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2994
(17 years ago)
by gezelter:
adding NgammaT integrator
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NgammaT.cpp
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2994
(17 years ago)
by gezelter:
adding NgammaT integrator
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Integrator.cpp
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2879
(18 years ago)
by chrisfen:
MPI thermodynamic integration works now.
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NPAT.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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Velocitizer.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NPTi.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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LangevinDynamics.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NPTxyz.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NPrT.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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RotationAlgorithm.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NPTxyz.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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DLM.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NVT.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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VelocityVerletIntegrator.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NPAT.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NPrT.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NPTf.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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Integrator.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NPT.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NVE.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NPTf.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NPTi.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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IntegratorFactory.hpp
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2404
(18 years ago)
by chrisfen:
fixed a capitalization problem with NPT integrator initialization
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IntegratorFactory.cpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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IntegratorCreator.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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