| File |
Last Change
|
|---|---|
 ../
|
|
atom2md/
|
3424 (16 years ago) by gezelter: Adding infrastructure for Amber force field. |
|
utilities/
|
3423 (16 years ago) by chuckv: More md-solvator work. |
|
staticProps/
|
3422 (16 years ago) by gpuliti: Fixed a number of bugs in slab_density calculation |
|
dynamicProps/
|
3404 (16 years ago) by gezelter: Fixed a bug in BlockSnapshotManager. |
|
oopse/
|
3404 (16 years ago) by gezelter: Fixed a bug in BlockSnapshotManager. |
|
dump2Xyz/
|
3321 (16 years ago) by xsun: Added a few visitors |
|
hydrodynamics/
|
3319 (16 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. |
|
thermalizer/
|
3059 (17 years ago) by gezelter: more openbabel updates, also changing velocitizer to thermalizer to avoid a filename collision on case-insensitve file systems |
|
nanoparticleBuilder/
|
3053 (17 years ago) by gezelter: bug fixes for vacancies |
|
randomBuilder/
|
3053 (17 years ago) by gezelter: bug fixes for vacancies |
|
simpleBuilder/
|
3041 (17 years ago) by gezelter: fixing missing lattice arguments, adding a builder sample |