 ../
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visitors/
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1725
(12 years ago)
by gezelter:
Individual ForceField classes have been removed (they were essentially
all duplicates anyway).
ForceField has moved to brains, and since only one force field is in
play at any time, the ForceFieldFactory and Register methods have been
removed.
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utils/
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1725
(12 years ago)
by gezelter:
Individual ForceField classes have been removed (they were essentially
all duplicates anyway).
ForceField has moved to brains, and since only one force field is in
play at any time, the ForceFieldFactory and Register methods have been
removed.
|
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types/
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1730
(12 years ago)
by gezelter:
Fixed compilation issues
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selection/
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1665
(13 years ago)
by gezelter:
updated copyright notices
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rnemd/
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1731
(12 years ago)
by gezelter:
Reorganized source directories, added RNEMD and flucQ blocks for
options parsing.
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restraints/
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1723
(12 years ago)
by gezelter:
Bug fixes for heat flux import
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primitives/
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1723
(12 years ago)
by gezelter:
Bug fixes for heat flux import
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parallel/
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1744
(12 years ago)
by gezelter:
Fixes for minimization
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optimization/
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1750
(12 years ago)
by gezelter:
Fixing some bugs in optimization, fixing status functions so that they
dump correctly (although some things are deferred until the Stats is
accumulator-based).
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nonbonded/
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1750
(12 years ago)
by gezelter:
Fixing some bugs in optimization, fixing status functions so that they
dump correctly (although some things are deferred until the Stats is
accumulator-based).
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minimizers/
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1744
(12 years ago)
by gezelter:
Fixes for minimization
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mdParser/
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1746
(12 years ago)
by gezelter:
added a minimizer parsing block
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math/
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1753
(12 years ago)
by gezelter:
Added a double dot tensor contraction.
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lattice/
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1725
(12 years ago)
by gezelter:
Individual ForceField classes have been removed (they were essentially
all duplicates anyway).
ForceField has moved to brains, and since only one force field is in
play at any time, the ForceFieldFactory and Register methods have been
removed.
|
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io/
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1752
(12 years ago)
by gezelter:
Added SiteData parsing and writing.
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integrators/
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1754
(12 years ago)
by jmichalk:
Removed a line in Integrator.cpp where the forceMan_ was being initialized too early. Additionally, added a dummy value for rCut_ in ForceManager.cpp::setupCutoffs. JRM
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hydrodynamics/
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1665
(13 years ago)
by gezelter:
updated copyright notices
|
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flucq/
|
1754
(12 years ago)
by jmichalk:
Removed a line in Integrator.cpp where the forceMan_ was being initialized too early. Additionally, added a dummy value for rCut_ in ForceManager.cpp::setupCutoffs. JRM
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constraints/
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1748
(12 years ago)
by gezelter:
fixing some bugs, adding Shake
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brains/
|
1754
(12 years ago)
by jmichalk:
Removed a line in Integrator.cpp where the forceMan_ was being initialized too early. Additionally, added a dummy value for rCut_ in ForceManager.cpp::setupCutoffs. JRM
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applications/
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1747
(12 years ago)
by gezelter:
fixes to minimizer parameters, start of intermediate status output for
minimizer.
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antlr/
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1653
(13 years ago)
by gezelter:
fixing compilation bugs on gcc-4.4
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config.h.cmake
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1704
(13 years ago)
by gezelter:
qhull modifications for compilation
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