 ../
|
visitors/
|
3448
(17 years ago)
by gezelter:
Added some logic to print out a special pair distance as a column in
the stat file. To use this feature, use taggedAtomPair = "0, 10" and
printTaggedPairDistance = "true" in the md file. Then, the distance
between integrableObjects 0 and 10 will be computed and printed in
the stat file on each statWrite.
|
|
utils/
|
3516
(16 years ago)
by gezelter:
units for thermalConductivity, spelling error fixed
|
|
types/
|
3463
(17 years ago)
by chuckv:
Returned old LD forces to SMIPDForceManager.
|
|
selection/
|
2759
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
|
|
restraints/
|
3342
(17 years ago)
by gezelter:
updating configure process
|
|
profiling/
|
3342
(17 years ago)
by gezelter:
updating configure process
|
|
primitives/
|
3466
(17 years ago)
by gezelter:
many changes to keep track of particle potentials for both bonded and non-bonded interactions
|
|
minimizers/
|
3432
(17 years ago)
by gezelter:
Changes for implementing Amber force field: Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.
|
|
mdParser/
|
3432
(17 years ago)
by gezelter:
Changes for implementing Amber force field: Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.
|
|
math/
|
3509
(16 years ago)
by cli2:
Modifications to support RMSD calculations, removing classes we aren't using.
|
|
lattice/
|
3446
(17 years ago)
by cli2:
Inversion fixes and amber mostly working
|
|
io/
|
3515
(16 years ago)
by gezelter:
Latest version of SMIPD with gamma set to thermal conductivity
|
|
integrators/
|
3517
(16 years ago)
by gezelter:
New hotness
|
|
hydrodynamics/
|
3479
(16 years ago)
by gezelter:
use the viscoConvert in OOPSEConstant
|
|
constraints/
|
3342
(17 years ago)
by gezelter:
updating configure process
|
|
brains/
|
3501
(16 years ago)
by skuang:
Bug fixes and sanity checks for RNEMD (nBins should be even), check to make
sure we aren't selecting inappropriate numbers of integrable Objects
|
|
applications/
|
3479
(16 years ago)
by gezelter:
use the viscoConvert in OOPSEConstant
|
|
antlr/
|
2970
(19 years ago)
by gezelter:
starting change of file formats
|
|
UseTheForce/
|
3512
(16 years ago)
by gezelter:
fixed one more bug for charge - non-charge interactions
|
config.h.in
|
3511
(16 years ago)
by gezelter:
Single / Double for C++ MPI bindings
|
