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Analyzed about 6 hours ago. based on code collected about 6 hours ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Mar 02, 2025 — Mar 02, 2026 Showing page 42 of 113 Search / Filter on:
renamed tests in parallel_tempering	Stefano Martiniani	More...				almost 12 years ago
add tests for frozen atom potential	Jacob Stevenson	More...				almost 12 years ago
forgot to add file	Jacob Stevenson	More...				almost 12 years ago
add frozen HS_WCA	Julian Schrenk	More...				almost 12 years ago
changed all do_tst to to_check to avoid confusion, also bug fix to hs_wca potential, modified constructor of WCA and added hessian	Stefano Martiniani	More...				almost 12 years ago
Merge branch 'jake_mc_pr'	Stefano Martiniani	More...				almost 12 years ago
remove _base_mcrunner.py and replaced it with _BaseMCRunner declared in monte_carlo.pyx, this way we remove one layer of wrapping, also remove * import in the monte_carlo __init__.py import	Stefano Martiniani	More...				almost 12 years ago
Merge branch 'master' of github.com:smcantab/pele into jake_mc_pr	Jacob Stevenson	More...				almost 12 years ago
organize Hessian computation with c++ potentials	Jacob Stevenson	More...				almost 12 years ago
Merge branch 'master' of https://github.com/pele-python/pele	Stefano Martiniani	More...				almost 12 years ago
change extra compile args in setup.py	Stefano Martiniani	More...				almost 12 years ago
remove an an extern declaration	Jacob Stevenson	More...				almost 12 years ago
undo changes to cython BasePotential	Jacob Stevenson	More...				almost 12 years ago
add hessian to LJCut	Jacob Stevenson	More...				almost 12 years ago
in c++ potential interactions change hessian function	Jacob Stevenson	More...				almost 12 years ago
add the hessian to the morse interaction	Jacob Stevenson	More...				almost 12 years ago
fix file name	Jacob Stevenson	More...				almost 12 years ago
removed basin volume modules	Stefano Martiniani	More...				almost 12 years ago
removed basin volume modules	Stefano Martiniani	More...				almost 12 years ago
made adjustments for cythonize to work properly	Stefano Martiniani	More...				almost 12 years ago
rebasing	Stefano Martiniani	More...				almost 12 years ago
removed duplicates	Stefano Martiniani	More...				almost 12 years ago
moved mc and pt to pele, more changes	Stefano Martiniani	More...				almost 12 years ago
bug fix to basin volume scripts and moved mpi_parallel tempering and monte_carlo from playground to pele	Stefano Martiniani	More...				almost 12 years ago
now generate_random_packings analyses jammed structure and determines whether there is any rattler. The structure file is now saved as .xyzdr, to include information about whether it's a rattler or not. The opengl file is also saved assigning a different colour to the rattlers. configure_bv_mcrunner hs been adapted to read .xyzdr file and create a rattlers array passable to the bv_mcrunner	Stefano Martiniani	More...				almost 12 years ago
improved hessian implementation, now potential is called once for each pair	Stefano Martiniani	More...				almost 12 years ago
added _mcrunner for basin volume and _configure_bv_mcrunner, started writing script to compute districution of eigenvalues for a particular jammed structure	Stefano Martiniani	More...				almost 12 years ago
raise an error if hessian is called when unimplemented	Stefano Martiniani	More...				almost 12 years ago
implemented hessian in pair-wise potential, hessian function needs to be written for all potentials	Stefano Martiniani	More...				almost 12 years ago
added numerical hessian to hessian test, bug in hessian, return -nan	Stefano Martiniani	More...				almost 12 years ago

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