 ../
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RNEMD.cpp
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3499
(15 years ago)
by gezelter:
bug fix in DLM, added temperature profiles and uniform bins to RNEMD
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DLM.cpp
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3499
(15 years ago)
by gezelter:
bug fix in DLM, added temperature profiles and uniform bins to RNEMD
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RNEMD.hpp
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3498
(15 years ago)
by skuang:
Added a getStatus routine to check the temperatures
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VelocityVerletIntegrator.cpp
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3498
(15 years ago)
by skuang:
Added a getStatus routine to check the temperatures
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Integrator.cpp
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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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Makefile.in
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3488
(15 years ago)
by gezelter:
Adding RNEMD
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VelocityVerletIntegrator.hpp
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3488
(15 years ago)
by gezelter:
Adding RNEMD
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Integrator.hpp
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3488
(15 years ago)
by gezelter:
Adding RNEMD
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SMIPDForceManager.cpp
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3482
(15 years ago)
by chuckv:
Different method again for Langevin Dynamics.
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SMIPDForceManager.hpp
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3482
(15 years ago)
by chuckv:
Different method again for Langevin Dynamics.
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SMIPDynamics.cpp
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3481
(15 years ago)
by gezelter:
Cleaning up some cruft.
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Velocitizer.cpp
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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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NVE.cpp
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3463
(15 years ago)
by chuckv:
Returned old LD forces to SMIPDForceManager.
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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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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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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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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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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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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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