| File |
Last Change
|
|---|---|
 ../
|
|
selection/
|
2759 (19 years ago) by tim: Adding single precision capabilities to c++ side |
|
minimizers/
|
2759 (19 years ago) by tim: Adding single precision capabilities to c++ side |
|
profiling/
|
2759 (19 years ago) by tim: Adding single precision capabilities to c++ side |
|
constraints/
|
2759 (19 years ago) by tim: Adding single precision capabilities to c++ side |
|
antlr/
|
2970 (19 years ago) by gezelter: starting change of file formats |
|
mdParser/
|
2982 (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. |
|
lattice/
|
3050 (18 years ago) by gezelter: bugfixing shapedLattice to have crystal origin at one of the occupied lattice sites |
|
restraints/
|
3129 (18 years ago) by chrisfen: SF Lennard-Jones was added for everyones' enjoyment. The behavior is tethered to the electrostaticSummationMethod keyword. |
|
hydrodynamics/
|
3249 (17 years ago) by xsun: Fixed some temperature and conversion constant bugs in Sphere and Ellipsoid |
|
types/
|
3286 (17 years ago) by cpuglis: Many fixes for Charmm-type torsions. |
|
UseTheForce/
|
3286 (17 years ago) by cpuglis: Many fixes for Charmm-type torsions. |
|
math/
|
3318 (17 years ago) by chuckv: Build fixes for include files. |
|
primitives/
|
3320 (17 years ago) by gezelter: A few formatting changes to prettify the code |
|
brains/
|
3324 (17 years ago) by xsun: fixed printing of memory available |
|
integrators/
|
3325 (17 years ago) by xsun: Fixed Langevin Dynamics and DLM |
|
io/
|
3326 (17 years ago) by xsun: Nothing important |
|
utils/
|
3327 (17 years ago) by xsun: fixed bug in physmem for 64 bit machines |
|
visitors/
|
3328 (17 years ago) by xsun: new visitors for some odd molecules |
|
applications/
|
3329 (17 years ago) by xsun: Adding GofZ.hpp |
config.h.in
|
3319 (17 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. |