| File |
Last Change
|
|---|---|
 ../
|
|
src/
|
3520 (14 years ago) by cli2: Added new restraint infrastructure Added MolecularRestraints Added ObjectRestraints Added RestraintStamp Updated thermodynamic integration to use ObjectRestraints Added Quaternion mathematics for twist swing decompositions Significantly updated RestWriter and RestReader to use dump-like files Added selections for x, y, and z coordinates of atoms Removed monolithic Restraints class Fixed a few bugs in gradients of Euler angles in DirectionalAtom and RigidBody Added some rotational capabilities to prinicpalAxisCalculator |
|
samples/
|
3519 (14 years ago) by chuckv: Relaxed structure at low T to be not so high up on the PE wall. |
|
forceFields/
|
3471 (15 years ago) by gezelter: fixed a few bugs in the options, added base atom types |
|
ac-tools/
|
3467 (15 years ago) by gezelter: Fixed a bug in QHULL autoconf logic |
|
make/
|
3406 (16 years ago) by chuckv: Added minimizer sample for metal. |
|
doc/
|
3209 (16 years ago) by gezelter: Updated docs to version 4 |
|
test/
|
2313 (18 years ago) by tim: adding testcase for zipstream |
|
scripts/
|
2199 (19 years ago) by gezelter: configure now searches for perl to use with filepp |
|
obj/
|
1531 (19 years ago) by gezelter: Cleaning up a bit |
|
MPIobj/
|
1531 (19 years ago) by gezelter: Cleaning up a bit |
|
lib/
|
1500 (19 years ago) by gezelter: Keep that lib around, please. |
configure
|
3468 (15 years ago) by gezelter: Fixed a QHULL autoconf bug |
|
Makefile
|
3168 (17 years ago) by gezelter: Install process should add some basic text documents |
|
ChangeLog
|
3131 (17 years ago) by chrisfen: fixed a bug where the pressure tensor wouldn't update for atoms in the switching region when # of atoms in a group = 1 |
|
README
|
3027 (17 years ago) by gezelter: Starting cleanup for 4.0 release |
|
AUTHORS
|
3027 (17 years ago) by gezelter: Starting cleanup for 4.0 release |
|
LICENSE
|
2560 (18 years ago) by gezelter: fixed some version info and the copyright date |