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 01, 2025 — Feb 01, 2026 Showing page 14 of 113 Search / Filter on:
add test, formatting	Julian Schrenk	More...				about 11 years ago
fix a bug in rigid body align	Jacob Stevenson	More...				about 11 years ago
Merge branch 'master' of https://github.com/pele-python/pele	Stefano Martiniani	More...				about 11 years ago
Merge pull request #104 from kjs73/hs_wca_again	Julian Schrenk	More...				about 11 years ago
add cpp test, harmonic interaction, energy	Julian Schrenk	More...				about 11 years ago
add some harmonic cpp tests	Julian Schrenk	More...				about 11 years ago
include order, formatting	Julian Schrenk	More...				about 11 years ago
add const, formatting	Julian Schrenk	More...				about 11 years ago
revert usage of product operator, maybe too much copying	Julian Schrenk	More...				about 11 years ago
add product operator, use in harmonic	Julian Schrenk	More...				about 11 years ago
formatting	Julian Schrenk	More...				about 11 years ago
fix some coverage issues	Jacob Stevenson	More...				about 11 years ago
use pele function to replace explicit loop	Julian Schrenk	More...				about 11 years ago
formatting	Julian Schrenk	More...				about 11 years ago
Merge remote-tracking branch 'origin/master' into hs_wca_again	Julian Schrenk	More...				about 11 years ago
Merge pull request #103 from js850/cpp_coverage	Jacob Stevenson	More...				about 11 years ago
add playground example	Julian Schrenk	More...				about 11 years ago
another fix to travis	Jacob Stevenson	More...				about 11 years ago
fix travis file	Jacob Stevenson	More...				about 11 years ago
merge python and cpp coverage reports	Jacob Stevenson	More...				about 11 years ago
add test against direct simple implementation, fix gradient confusion	Julian Schrenk	More...				about 11 years ago
add cpp test comparing s and sf versions of HS-WCA	Julian Schrenk	More...				about 11 years ago
update and comment out printing part in test	Julian Schrenk	More...				about 11 years ago
add more points to test	Julian Schrenk	More...				about 11 years ago
fix sign error, add plotting test	Julian Schrenk	More...				about 11 years ago
switch from fHS-WCA to sf_HS_WCA_interaction	Julian Schrenk	More...				about 11 years ago
change clashing name	Julian Schrenk	More...				about 11 years ago
add documentation, add outline	Julian Schrenk	More...				about 11 years ago
return early sometimes	Julian Schrenk	More...				about 11 years ago
truncate energy within soft shell	Julian Schrenk	More...				about 11 years ago

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