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Commits : Listings

Analyzed about 17 hours ago. based on code collected about 17 hours ago.
Feb 25, 2025 — Feb 25, 2026
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Fix error with fortran neb_force routine More... over 13 years ago
lbfgs_py and mylbfgs now return the Results object More... over 13 years ago
add documentation to _DistanceGraph More... over 13 years ago
ensure minima attached to TransitionStates are ordered More... over 13 years ago
added transaction to connect_min addMinimum
Victor Rühle
as Victor Ruehle
More... over 13 years ago
removed uniqueness constrained for transition states (still using energy as a criterion)
Victor Rühle
as Victor Ruehle
More... over 13 years ago
connect_min uses new bulk insert
Victor Rühle
as Victor Ruehle
More... over 13 years ago
database creates indices for ts and dist lookup, optimized dist functions
Victor Rühle
as Victor Ruehle
More... over 13 years ago
distance routine uses premade sql statement
Victor Rühle
as Victor Ruehle
More... over 13 years ago
lj gui has now exact cluster match check + button to try inversion
Victor Rühle
as Victor Ruehle
More... over 13 years ago
Merge branch 'master' of https://[email protected]/js850/PyGMIN.git
Victor Rühle
as ruehle
More... over 13 years ago
exact match: added inversion symmetry check
Victor Rühle
as ruehle
More... over 13 years ago
fixed a few bugs in exact match
Victor Rühle
as Victor Ruehle
More... over 13 years ago
made exact match for clusters more robust + faster
Victor Rühle
as ruehle
More... over 13 years ago
Merge branch 'master' of github.com:js850/PyGMIN More... over 13 years ago
more export options for oxdna dump
Victor Rühle
as Victor Ruehle
More... over 13 years ago
Merge branch 'master' of github.com:js850/PyGMIN More... over 13 years ago
Improve scaling of connect algorithm for large databases More... over 13 years ago
Avoid repetition in areConnected(min1, min2) calls More... over 13 years ago
Add option to DistanceGraph to include relevant minima More... over 13 years ago
first version of exact match check for clusters
Victor Rühle
as ruehle
More... over 13 years ago
Merge branch 'master' of https://[email protected]/js850/PyGMIN.git
Victor Rühle
as ruehle
More... over 13 years ago
replaced empty list with None for permutations
Victor Rühle
as ruehle
More... over 13 years ago
Merge branch 'master' of https://github.com/js850/PyGMIN More... over 13 years ago
added test file for screw steps More... over 13 years ago
Database.distances() now returns a generator rather than a list More... over 13 years ago
Merge branch 'master' of github.com:js850/PyGMIN More... over 13 years ago
Merge branch 'master' of github.com:js850/PyGMIN More... over 13 years ago
Merge branch 'master' of github.com:js850/PyGMIN More... over 13 years ago
skip orm in getDist, fixed bug in setDist
Victor Rühle
as Victor Ruehle
More... over 13 years ago