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Commits : Listings

Analyzed 22 days ago. based on code collected 23 days ago.
Jan 29, 2024 — Jan 29, 2025
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
made changes to hs_wca_cell_test More... over 10 years ago
add a test for LJCutCellLists More... over 10 years ago
Merge branch 'periodic_boundaries' of https://github.com/sniblett402/pele into periodic_boundaries More... over 10 years ago
Moved the rigid-body measure, transform and mindist functions to new files in more logical locations, and improved the documentation for all the new functions More... over 10 years ago
CellIter no longer needs coords in the constructor More... over 10 years ago
Start to refactor CellIter More... over 10 years ago
start restructuring of CellListPotential More... over 10 years ago
a bit of clean up and documentation for CellIter More... over 10 years ago
fix put-in-box More... over 10 years ago
fix array copy More... over 10 years ago
add copy statements everywhere in example test More... over 10 years ago
formatting More... over 10 years ago
extend python test, add cpp input check More... over 10 years ago
formatting More... over 10 years ago
add input checks More... over 10 years ago
add some hswca input checks, add detailed output to playground example More... over 10 years ago
add periodic distances to _cpp_aa.pyx More... over 10 years ago
fix bug where array_wrap_np was ignoring exceptions More... over 10 years ago
Merge branch 'periodic_boundaries' of https://github.com/sniblett402/pele into periodic_boundaries More... over 10 years ago
refactor aatopology.h to deal with periodic bounds More... over 10 years ago
Merge branch 'master' into periodic_boundaries More... over 10 years ago
Added a method for passing in a (single) configuration from a file More... over 10 years ago
formatting More... over 10 years ago
add cpp test, use std inner product, order includes More... over 10 years ago
meta periodic distance policy More... over 10 years ago
meta cartesian distance policy More... over 10 years ago
test all coodinates irrespective of minimization convergence More... over 10 years ago
fix coordinate value test More... over 10 years ago
fix seed in cell list example More... over 10 years ago
Merge branch 'master' of https://github.com/pele-python/pele More... over 10 years ago