 ../
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UseTheForce/
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1127
(18 years ago)
by gezelter:
more changes for atomic virials and Lennard-Jones force switching
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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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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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constraints/
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963
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
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hydrodynamics/
|
981
(19 years ago)
by gezelter:
Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).
Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).
|
|
integrators/
|
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...
|
|
io/
|
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...
|
|
lattice/
|
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
|
|
openbabel/
|
1084
(18 years ago)
by gezelter:
fixes for open babel
|
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primitives/
|
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...
|
|
profiling/
|
963
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
|
|
restraints/
|
1029
(18 years ago)
by chrisfen:
fixes to zang writing
|
|
selection/
|
963
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
|
|
types/
|
981
(19 years ago)
by gezelter:
Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).
Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).
|
|
utils/
|
1062
(18 years ago)
by gezelter:
fixing bugs in randomBuilder
|
|
visitors/
|
1118
(18 years ago)
by chuckv:
Support for printPosOnly in Dump2XYZ.
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config.h.in
|
1081
(18 years ago)
by gezelter:
updated OpenBabel to version 2.0.2
|
