pele-python

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Analyzed about 3 hours ago. based on code collected about 3 hours ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Feb 18, 2025 — Feb 18, 2026 Showing page 100 of 113 Search / Filter on:
added all utils to doc	Victor Rühle as Victor Ruehle	More...				over 13 years ago
renamed module readAmberParam -> amber.py	Victor Rühle as Victor Ruehle	More...				over 13 years ago
added cell class to handle lattice manipulation/conversion	Victor Rühle as Victor Ruehle	More...				over 13 years ago
started single ended exploration algorithm	Victor Rühle as Victor Ruehle	More...				over 13 years ago
played with crystal gui	Victor Rühle as Victor Ruehle	More...				over 13 years ago
lj gui interface change for ts search	Victor Rühle as Victor Ruehle	More...				over 13 years ago
bugfix: tolerance was ignored in fire	Victor Rühle as Victor Ruehle	More...				over 13 years ago
added some more to doc	Victor Rühle as Victor Ruehle	More...				over 13 years ago
more consistent interface for transition state refinement	Victor Rühle as Victor Ruehle	More...				over 13 years ago
findTransitionState returns named tuple	Victor Rühle as Victor Ruehle	More...				over 13 years ago
improved dump_database script	Victor Rühle as Victor Ruehle	More...				over 13 years ago
Bug fixes in connect algorithm	Jacob Stevenson	More...				over 13 years ago
connect now uses database as storage	Victor Rühle as Victor Ruehle	More...				over 13 years ago
improved documentation for database	Victor Rühle as Victor Ruehle	More...				over 13 years ago
added files for documentation using sphinx	Victor Rühle as Victor Ruehle	More...				over 13 years ago
made database module instead of package	Victor Rühle as Victor Ruehle	More...				over 13 years ago
sqlite storage is working	Victor Rühle as Victor Ruehle	More...				over 13 years ago
first test with database (SQLAlchemy)	Victor Rühle as Victor Ruehle	More...				over 13 years ago
fixed type GMINPotental	Victor Rühle as Victor Ruehle	More...				over 13 years ago
fixed bug i just introduced	Victor Rühle as Victor Ruehle	More...				over 13 years ago
checkpoint example now in basic	Victor Rühle as Victor Ruehle	More...				over 13 years ago
renamed example2 to basics	Victor Rühle as Victor Ruehle	More...				over 13 years ago
removed keyword interface	Victor Rühle as Victor Ruehle	More...				over 13 years ago
fixed 30 warnings	Victor Rühle as Victor Ruehle	More...				over 13 years ago
fixed most of the errors	Victor Rühle as Victor Ruehle	More...				over 13 years ago
moved rotations to utils	Victor Rühle as Victor Ruehle	More...				over 13 years ago
basin hopping uses quench routine from defaults	Victor Rühle as Victor Ruehle	More...				over 13 years ago
moved old take_step to obsolete	Victor Rühle as Victor Ruehle	More...				over 13 years ago
some reorganization of crystal stuff	Victor Rühle as Victor Ruehle	More...				over 13 years ago
fixed bug in reseeding	Victor Rühle as Victor Ruehle	More...				over 13 years ago

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