 ../
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visitors/
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1962
(11 years ago)
by gezelter:
Some potential bug fixes.
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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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types/
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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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selection/
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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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rnemd/
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1980
(11 years ago)
by gezelter:
Fixes for compilation with PGI compilers
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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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primitives/
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1955
(11 years ago)
by gezelter:
Removing a few compiler warnings
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perturbations/
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1908
(11 years ago)
by gezelter:
Added infrastructure for region-constrained fluctuating charges.
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parallel/
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1971
(11 years ago)
by gezelter:
Fixed a few MPI issues that were triggered in mpich.
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optimization/
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1981
(11 years ago)
by gezelter:
Added the ConstraintWriter
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nonbonded/
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1981
(11 years ago)
by gezelter:
Added the ConstraintWriter
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mdParser/
|
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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math/
|
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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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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io/
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1981
(11 years ago)
by gezelter:
Added the ConstraintWriter
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integrators/
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1971
(11 years ago)
by gezelter:
Fixed a few MPI issues that were triggered in mpich.
|
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hydrodynamics/
|
1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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flucq/
|
1981
(11 years ago)
by gezelter:
Added the ConstraintWriter
|
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constraints/
|
1981
(11 years ago)
by gezelter:
Added the ConstraintWriter
|
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clusters/
|
1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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brains/
|
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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applications/
|
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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antlr/
|
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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config.h.cmake
|
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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