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Commits : Listings

Analyzed 1 day ago. based on code collected 1 day ago.
Mar 02, 2025 — Mar 02, 2026
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
added export_xyz to oxdna
Victor Rühle
as Victor Ruehle
More... about 13 years ago
move permutational alignment functions to new file More... about 13 years ago
updated docstring for neb.tangent
Victor Rühle
as Victor Ruehle
More... about 13 years ago
added benchmarking scripts for oxdna
Victor Rühle
as Victor Ruehle
More... about 13 years ago
Merge branch 'master' of github.com:js850/PyGMIN More... about 13 years ago
DoubleEndedConnect: att option longest_first More... about 13 years ago
NEB: Add ability to pass quench parameters in __init__ More... about 13 years ago
fixed bug in neb tangent
Victor Rühle
as Victor Ruehle
More... about 13 years ago
fixed some issues with the rigid body mapper
Victor Rühle
as Victor Ruehle
More... about 13 years ago
almost done with new rigid body wrapper for arbitrary potentials
Victor Rühle
as Victor Ruehle
More... about 13 years ago
added xyz reader / writer to utils
Victor Rühle
as Victor Ruehle
More... about 13 years ago
Merge branch 'master' of https://[email protected]/js850/PyGMIN.git
Victor Rühle
as Victor Ruehle
More... about 13 years ago
debugged tip4p example
Victor Rühle
as Victor Ruehle
More... about 13 years ago
slerp: fixed numerical issue for small rotations
Victor Rühle
as Victor Ruehle
More... about 13 years ago
added mixing term in aa dist + fixed path alignments
Victor Rühle
as Victor Ruehle
More... about 13 years ago
replace minPermDistStochastic with minPermDistRanRot More... about 13 years ago
Merge branch 'master' of github.com:js850/PyGMIN More... about 13 years ago
fix small bug in /make_disconnectivity_graph.py More... about 13 years ago
update parallel connect for new NEB.tangent routine More... about 13 years ago
add a script to make a disconnectivity graph from a database More... about 13 years ago
fix a warning message in find_lowest_eig.py More... about 13 years ago
add a new check for sane transition states More... about 13 years ago
a bit of tweaking the neb
Victor Rühle
as Victor Ruehle
More... about 13 years ago
Merge branch 'master' of github.com:js850/PyGMIN More... about 13 years ago
add reconnect button to gui More... about 13 years ago
update Graph and connect_min to be able to do a reconnect run More... about 13 years ago
added new rigid body transformations
Victor Rühle
as Victor Ruehle
More... about 13 years ago
Merge branch 'master' of github.com:js850/PyGMIN More... about 13 years ago
stop networkx from using deepcopy on nodes and edges More... about 13 years ago
Merge branch 'master' of https://github.com/js850/PyGMIN
Victor Rühle
as Victor Ruehle
More... about 13 years ago