 ../
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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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applications/
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1762
(12 years ago)
by plouden:
Calculates the tetrahedrality parameter as a function of zbins. Abandon all hope ye who enter here.
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brains/
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1761
(12 years ago)
by gezelter:
fixes for fluctuating charges
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constraints/
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1748
(12 years ago)
by gezelter:
fixing some bugs, adding Shake
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flucq/
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1761
(12 years ago)
by gezelter:
fixes for fluctuating charges
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hydrodynamics/
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1665
(13 years ago)
by gezelter:
updated copyright notices
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integrators/
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1760
(12 years ago)
by gezelter:
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData
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io/
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1752
(12 years ago)
by gezelter:
Added SiteData parsing and writing.
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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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math/
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1760
(12 years ago)
by gezelter:
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData
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mdParser/
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1746
(12 years ago)
by gezelter:
added a minimizer parsing block
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nonbonded/
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1761
(12 years ago)
by gezelter:
fixes for fluctuating charges
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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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parallel/
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1761
(12 years ago)
by gezelter:
fixes for fluctuating charges
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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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restraints/
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1760
(12 years ago)
by gezelter:
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData
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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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selection/
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1665
(13 years ago)
by gezelter:
updated copyright notices
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types/
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1760
(12 years ago)
by gezelter:
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData
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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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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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config.h.cmake
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1704
(13 years ago)
by gezelter:
qhull modifications for compilation
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