 ../
|
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/
|
3470
(17 years ago)
by gezelter:
General bug-fixes and other changes to make particle pots work with
the Helfand Energy correlation function
|
|
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/
|
3474
(16 years ago)
by chuckv:
Added global variable.
|
|
lattice/
|
3446
(17 years ago)
by cli2:
Inversion fixes and amber mostly working
|
|
io/
|
3473
(16 years ago)
by chuckv:
More attempts to get SMIPD to themostat properly
|
|
integrators/
|
3477
(16 years ago)
by chuckv:
Stupid getRandomNumber return 4;
|
|
hydrodynamics/
|
3249
(18 years ago)
by xsun:
Fixed some temperature and conversion constant bugs in Sphere and Ellipsoid
|
|
constraints/
|
3342
(17 years ago)
by gezelter:
updating configure process
|
|
brains/
|
3470
(17 years ago)
by gezelter:
General bug-fixes and other changes to make particle pots work with
the Helfand Energy correlation function
|
|
applications/
|
3476
(16 years ago)
by gezelter:
missing energyConvert in kinetic energy
|
|
antlr/
|
2970
(19 years ago)
by gezelter:
starting change of file formats
|
|
UseTheForce/
|
3470
(17 years ago)
by gezelter:
General bug-fixes and other changes to make particle pots work with
the Helfand Energy correlation function
|
config.h.in
|
3343
(17 years ago)
by gezelter:
fixing configure process
|
