| Add 2d histogram reweighting |
|
More...
|
over 13 years ago
|
| clean up wham stuff a bit |
|
More...
|
over 13 years ago
|
| Use basin hopping in wham to make sure we've found the global min |
|
More...
|
over 13 years ago
|
| plot Cv when it's generated |
|
More...
|
over 13 years ago
|
| add analytic gradients to wham potential |
|
More...
|
over 13 years ago
|
| Reorganize the wham stuff a bit |
|
More...
|
over 13 years ago
|
| fix indenting for wham |
|
More...
|
over 13 years ago
|
| Add histogram reweighting to the repository |
|
More...
|
over 13 years ago
|
| Small changes to parallel tempering stuff |
|
More...
|
over 13 years ago
|
| parallel tempering exchanges now work |
|
More...
|
over 13 years ago
|
| make parallel tempering parallel using module multiprocessing |
|
More...
|
over 13 years ago
|
| Fix a bug in takestep |
|
More...
|
over 13 years ago
|
| add some functions to modify the state of the basinhopping / mc class |
|
More...
|
over 13 years ago
|
| minor changes to parallel tempering |
|
More...
|
over 13 years ago
|
| gui zoom & rotate around z with right mouse button |
|
More...
|
over 13 years ago
|
| use scipy weave to speed up rigid bodies |
|
More...
|
over 13 years ago
|
| Add a lj example potential using scipy weave inline |
|
More...
|
over 13 years ago
|
| start to add parallel tempering monte carlo |
|
More...
|
over 13 years ago
|
| small changes |
|
More...
|
over 13 years ago
|
| small adjustments to takestep |
|
More...
|
over 13 years ago
|
| Modify how takestep + adaptive step works |
|
More...
|
over 13 years ago
|
| Add a simplified lj file for demonstration purposes |
|
More...
|
almost 14 years ago
|
| speed up random displacement |
|
More...
|
almost 14 years ago
|
| Stop unnecessary printout in ljpshiftfast.py |
|
More...
|
almost 14 years ago
|
| Merge branch 'master' of https://github.com/js850/minGMIN |
|
More...
|
almost 14 years ago
|
| soft sphere explore basin now uses MonteCarlo class |
|
More...
|
almost 14 years ago
|
| fixed rotations in 3d viewer |
|
More...
|
almost 14 years ago
|
| interface cleanup in ewald |
|
More...
|
almost 14 years ago
|
| Make BasinHopping a derrived class of a new MonteCarlo class |
|
More...
|
almost 14 years ago
|
| fix saveit in example2 |
|
More...
|
almost 14 years ago
|
