 ../
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selection/
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1903
(12 years ago)
by gezelter:
Test to see if we can eliminate a bug in MPI runs involving RNEMD.
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antlr/
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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utils/
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1896
(12 years ago)
by gezelter:
Speedup tests
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io/
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1915
(12 years ago)
by gezelter:
Added Legendre Correlation function (as a function of Z), working on architecture for Ewald
Fixed some bugs in FlucQ
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primitives/
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1908
(12 years ago)
by gezelter:
Added infrastructure for region-constrained fluctuating charges.
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math/
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1886
(12 years ago)
by gezelter:
Cleaning up some import nonsense
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lattice/
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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integrators/
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1915
(12 years ago)
by gezelter:
Added Legendre Correlation function (as a function of Z), working on architecture for Ewald
Fixed some bugs in FlucQ
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perturbations/
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1908
(12 years ago)
by gezelter:
Added infrastructure for region-constrained fluctuating charges.
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clusters/
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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rnemd/
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1903
(12 years ago)
by gezelter:
Test to see if we can eliminate a bug in MPI runs involving RNEMD.
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brains/
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1915
(12 years ago)
by gezelter:
Added Legendre Correlation function (as a function of Z), working on architecture for Ewald
Fixed some bugs in FlucQ
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nonbonded/
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1915
(12 years ago)
by gezelter:
Added Legendre Correlation function (as a function of Z), working on architecture for Ewald
Fixed some bugs in FlucQ
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hydrodynamics/
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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restraints/
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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parallel/
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1896
(12 years ago)
by gezelter:
Speedup tests
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types/
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1908
(12 years ago)
by gezelter:
Added infrastructure for region-constrained fluctuating charges.
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visitors/
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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optimization/
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1880
(12 years ago)
by gezelter:
Preparing for official 2.1 release (clean-up)
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mdParser/
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1902
(12 years ago)
by gezelter:
Added a satellites keyword to the inversion block.
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constraints/
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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applications/
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1919
(12 years ago)
by jmarr:
fixed affineScale to know about molecules that have traversed multiple box lengths.
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flucq/
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1920
(12 years ago)
by jmichalk:
Had to move initialization of FluctuatingChargeConstraints into FluctuatingChargePropagator::initialize, I think I did this before, but must not have committed it and then an svn up killed it... The change was made because systems weren't undergoing charge constraints JRM
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config.h.cmake
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1796
(13 years ago)
by gezelter:
Updating MPI calls to C++, fixing a DumpWriter bug, cleaning cruft
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