| consistent usage of external distance function for NEB |
|
More...
|
over 13 years ago
|
| Merge branch 'master' of https://github.com/js850/PyGMIN |
|
More...
|
over 13 years ago
|
| oxdna step: allow change center of rotation (still has a bug) |
|
More...
|
over 13 years ago
|
| Merge branch 'master' of github.com:js850/PyGMIN |
|
More...
|
over 13 years ago
|
| more tweaking of the documentation |
|
More...
|
over 13 years ago
|
| improve documentation for landscape exploration |
|
More...
|
over 13 years ago
|
| Merge branch 'master' of https://github.com/js850/PyGMIN |
|
More...
|
over 13 years ago
|
| replace a weave implementation with a cython implementation |
|
More...
|
over 13 years ago
|
| Merge branch 'master' of https://github.com/js850/PyGMIN |
|
More...
|
over 13 years ago
|
| added aa spring force, moved aainterpolate to aautils |
|
More...
|
over 13 years ago
|
| more documentation for updated connect algorithm |
|
More...
|
over 13 years ago
|
| document LocalConnect |
|
More...
|
over 13 years ago
|
| parallel connect now works with new connect structure |
|
More...
|
over 13 years ago
|
| Reorganize connect algorithm |
|
More...
|
over 13 years ago
|
| Merge branch 'master' of github.com:js850/PyGMIN |
|
More...
|
over 13 years ago
|
| started to add new metric for angle axis / rigid body systems |
|
More...
|
over 13 years ago
|
| CoordsAdapter automatically determines number of rigid bodies if not specified |
|
More...
|
over 13 years ago
|
| small changes to mindist importing |
|
More...
|
over 13 years ago
|
| removed old patchy particle interface to GMIN |
|
More...
|
over 13 years ago
|
| removed lj weave implementation |
|
More...
|
over 13 years ago
|
| removed obsolate lj cpp implementation |
|
More...
|
over 13 years ago
|
| OXDNAScrewStep: added probability distribution for choosing a bond to rotate |
|
More...
|
over 13 years ago
|
| bugfix when deleting entry from dictionary in transition_state_refinment |
|
More...
|
over 13 years ago
|
| minPermDistRanRot: add option to quench at each iteration |
|
More...
|
over 13 years ago
|
| Add point inversion symmetry to minPermDistRanRot |
|
More...
|
over 13 years ago
|
| add a new minpermdist routine |
|
More...
|
over 13 years ago
|
| join() child processes after terminating |
|
More...
|
over 13 years ago
|
| use pool.imap rather than pool.map for parallel transition state |
|
More...
|
over 13 years ago
|
| improve exception handling with parallel processing |
|
More...
|
over 13 years ago
|
| add comments and documentation to parallel stuff |
|
More...
|
over 13 years ago
|
