 ../
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applications/
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3323
(16 years ago)
by xsun:
added stat2visco
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primitives/
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3320
(16 years ago)
by gezelter:
A few formatting changes to prettify the code
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brains/
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3319
(16 years ago)
by gezelter:
Removed older version of openbabel from our code. We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need. Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
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utils/
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3319
(16 years ago)
by gezelter:
Removed older version of openbabel from our code. We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need. Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
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integrators/
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3319
(16 years ago)
by gezelter:
Removed older version of openbabel from our code. We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need. Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
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math/
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3318
(16 years ago)
by chuckv:
Build fixes for include files.
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types/
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3286
(16 years ago)
by cpuglis:
Many fixes for Charmm-type torsions.
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UseTheForce/
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3286
(16 years ago)
by cpuglis:
Many fixes for Charmm-type torsions.
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io/
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3286
(16 years ago)
by cpuglis:
Many fixes for Charmm-type torsions.
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hydrodynamics/
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3249
(16 years ago)
by xsun:
Fixed some temperature and conversion constant bugs in Sphere and Ellipsoid
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restraints/
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3129
(17 years ago)
by chrisfen:
SF Lennard-Jones was added for everyones' enjoyment. The behavior is tethered to the electrostaticSummationMethod keyword.
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visitors/
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3116
(17 years ago)
by chuckv:
Support for printPosOnly in Dump2XYZ.
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lattice/
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3050
(17 years ago)
by gezelter:
bugfixing shapedLattice to have crystal origin at one of the occupied
lattice sites
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mdParser/
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2982
(17 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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antlr/
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2970
(18 years ago)
by gezelter:
starting change of file formats
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selection/
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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minimizers/
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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profiling/
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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constraints/
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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config.h.in
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3319
(16 years ago)
by gezelter:
Removed older version of openbabel from our code. We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need. Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
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