| added export_xyz to oxdna |
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about 13 years ago
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| move permutational alignment functions to new file |
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about 13 years ago
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| updated docstring for neb.tangent |
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about 13 years ago
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| added benchmarking scripts for oxdna |
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about 13 years ago
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| Merge branch 'master' of github.com:js850/PyGMIN |
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about 13 years ago
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| DoubleEndedConnect: att option longest_first |
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about 13 years ago
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| NEB: Add ability to pass quench parameters in __init__ |
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about 13 years ago
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| fixed bug in neb tangent |
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about 13 years ago
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| fixed some issues with the rigid body mapper |
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about 13 years ago
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| almost done with new rigid body wrapper for arbitrary potentials |
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about 13 years ago
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| added xyz reader / writer to utils |
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about 13 years ago
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| Merge branch 'master' of https://[email protected]/js850/PyGMIN.git |
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about 13 years ago
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| debugged tip4p example |
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about 13 years ago
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| slerp: fixed numerical issue for small rotations |
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about 13 years ago
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| added mixing term in aa dist + fixed path alignments |
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about 13 years ago
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| replace minPermDistStochastic with minPermDistRanRot |
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about 13 years ago
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| Merge branch 'master' of github.com:js850/PyGMIN |
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about 13 years ago
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| fix small bug in /make_disconnectivity_graph.py |
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about 13 years ago
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| update parallel connect for new NEB.tangent routine |
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about 13 years ago
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| add a script to make a disconnectivity graph from a database |
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about 13 years ago
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| fix a warning message in find_lowest_eig.py |
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about 13 years ago
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| add a new check for sane transition states |
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about 13 years ago
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| a bit of tweaking the neb |
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about 13 years ago
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| Merge branch 'master' of github.com:js850/PyGMIN |
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about 13 years ago
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| add reconnect button to gui |
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about 13 years ago
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| update Graph and connect_min to be able to do a reconnect run |
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about 13 years ago
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| added new rigid body transformations |
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about 13 years ago
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| Merge branch 'master' of github.com:js850/PyGMIN |
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about 13 years ago
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| stop networkx from using deepcopy on nodes and edges |
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about 13 years ago
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| Merge branch 'master' of https://github.com/js850/PyGMIN |
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about 13 years ago
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