 ../
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antlr/
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1969
(11 years ago)
by gezelter:
Fixes to deal with deprecation of MPI C++ bindings. We've reverted back to the
C calls.
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applications/
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2012
(10 years ago)
by gezelter:
Added mdShrink utility
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brains/
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2011
(10 years ago)
by gezelter:
Added NPA integrator
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clusters/
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1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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constraints/
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1989
(11 years ago)
by gezelter:
Fixed the creation of constraintForces files on simulations which don't
have constraints
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flucq/
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1984
(11 years ago)
by gezelter:
Some small compilation fixes for MSVC
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hydrodynamics/
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1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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integrators/
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2011
(10 years ago)
by gezelter:
Added NPA integrator
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io/
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2011
(10 years ago)
by gezelter:
Added NPA integrator
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lattice/
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1977
(11 years ago)
by gezelter:
Removed some scary errors that are really supposed to be OPENMD_INFO messages
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math/
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2000
(10 years ago)
by gezelter:
Bug Fixes
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mdParser/
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1979
(11 years ago)
by gezelter:
* Changed the stdDev printouts in RNEMD stats to the 95% confidence intervals
* Added the ability to specify non-bonded constraints in a molecule
* Added the ability to do selection offsets in the pAngle staticProps module
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nonbonded/
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2005
(10 years ago)
by gezelter:
Fixed a strange non-bonded reporting bug.
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optimization/
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1986
(11 years ago)
by gezelter:
removed some code that wasn't reachable
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parallel/
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1993
(11 years ago)
by gezelter:
Added sitePotentials for the Choi et al. potential-frequency maps for nitriles
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perturbations/
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1987
(11 years ago)
by gezelter:
Removing vestiges of deprecated MPI:: namespace C++ MPI bindings
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primitives/
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1993
(11 years ago)
by gezelter:
Added sitePotentials for the Choi et al. potential-frequency maps for nitriles
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restraints/
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1973
(11 years ago)
by gezelter:
Some updates for restraints and fluctuating charges in Ewald
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rnemd/
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1980
(11 years ago)
by gezelter:
Fixes for compilation with PGI compilers
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selection/
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2010
(10 years ago)
by gezelter:
Fixed a selection bug for integer tokens
Dielectric script now uses both clausius-mossotti and conducting boundaries
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types/
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1995
(10 years ago)
by gezelter:
Torsion changes for 180_trans
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utils/
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1980
(11 years ago)
by gezelter:
Fixes for compilation with PGI compilers
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visitors/
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1962
(11 years ago)
by gezelter:
Some potential bug fixes.
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config.h.cmake
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1987
(11 years ago)
by gezelter:
Removing vestiges of deprecated MPI:: namespace C++ MPI bindings
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