File
|
Last Change |
|---|---|
 ../
|
|
UseTheForce/
|
748 (19 years ago) by chuckv: ForceField optional parameters.... |
|
applications/
|
747 (19 years ago) by tim: adding mdinConverter |
|
brains/
|
744 (19 years ago) by tim: register openbabel readers/writers |
|
constraints/
|
665 (19 years ago) by tim: rewrite Globals |
|
integrators/
|
705 (19 years ago) by chrisfen: fixed a capitalization problem with NPT integrator initialization |
|
io/
|
748 (19 years ago) by chuckv: ForceField optional parameters.... |
|
lattice/
|
507 (20 years ago) by gezelter: xemacs has been drafted to perform our indentation services |
|
math/
|
637 (19 years ago) by tim: using epsilon instead of 0.0 to avoid divergence in rotation matrix to quaternion transformation |
|
minimizers/
|
665 (19 years ago) by tim: rewrite Globals |
|
openbabel/
|
746 (19 years ago) by tim: adding more readers/writers |
|
primitives/
|
695 (19 years ago) by chrisfen: streamlined reaction field for dipoles (now a good bit faster) and added reaction field for charges - still need to do charge-dipole RF |
|
profiling/
|
507 (20 years ago) by gezelter: xemacs has been drafted to perform our indentation services |
|
restraints/
|
666 (19 years ago) by chrisfen: added default restraint spring constants into Globals |
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selection/
|
507 (20 years ago) by gezelter: xemacs has been drafted to perform our indentation services |
|
types/
|
728 (19 years ago) by chuckv: Sutton-Chen almost done. Just need to fix do_forces to use Sutton-Chen. |
|
utils/
|
748 (19 years ago) by chuckv: ForceField optional parameters.... |
|
visitors/
|
665 (19 years ago) by tim: rewrite Globals |
Makefile
|
267 (20 years ago) by gezelter: moved Package variable into subdirectory makefiles to speed up the building process |
|
config.h.in
|
616 (19 years ago) by gezelter: added check for zlib in configure |