 ../
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UseTheForce/
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1131
(18 years ago)
by chrisfen:
fixed a bug where the pressure tensor wouldn't update for atoms in the switching region when # of atoms in a group = 1
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antlr/
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1021
(18 years ago)
by gezelter:
starting change of file formats
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applications/
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1128
(18 years ago)
by chuckv:
Added Bond Order Parameter as a function of radius.
|
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brains/
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1129
(18 years ago)
by chrisfen:
SF Lennard-Jones was added for everyones' enjoyment. The behavior is tethered to the electrostaticSummationMethod keyword.
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constraints/
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963
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
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hydrodynamics/
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1129
(18 years ago)
by chrisfen:
SF Lennard-Jones was added for everyones' enjoyment. The behavior is tethered to the electrostaticSummationMethod keyword.
|
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integrators/
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1129
(18 years ago)
by chrisfen:
SF Lennard-Jones was added for everyones' enjoyment. The behavior is tethered to the electrostaticSummationMethod keyword.
|
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io/
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1126
(18 years ago)
by gezelter:
Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...
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lattice/
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1074
(18 years ago)
by gezelter:
bugfixing shapedLattice to have crystal origin at one of the occupied
lattice sites
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math/
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1099
(18 years ago)
by gezelter:
fixed a configuration error
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mdParser/
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1024
(18 years ago)
by tim:
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
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minimizers/
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963
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
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openbabel/
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1084
(18 years ago)
by gezelter:
fixes for open babel
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primitives/
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1126
(18 years ago)
by gezelter:
Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...
|
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profiling/
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963
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
|
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restraints/
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1129
(18 years ago)
by chrisfen:
SF Lennard-Jones was added for everyones' enjoyment. The behavior is tethered to the electrostaticSummationMethod keyword.
|
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selection/
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963
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
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types/
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1129
(18 years ago)
by chrisfen:
SF Lennard-Jones was added for everyones' enjoyment. The behavior is tethered to the electrostaticSummationMethod keyword.
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utils/
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1062
(18 years ago)
by gezelter:
fixing bugs in randomBuilder
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visitors/
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1118
(18 years ago)
by chuckv:
Support for printPosOnly in Dump2XYZ.
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config.h.in
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1081
(18 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
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