luigibonati / mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations
MIT License
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Minor bugs fix May '24 #131

Closed EnricoTrizio closed 3 months ago

EnricoTrizio commented 4 months ago

Description

Fixes #126 (wrong typings creating problems with compilation in pytorch 2.x) and #122 (wrong PLUMED input example in tutorials)

Status

codecov[bot] commented 4 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 91.97%. Comparing base (0d40dc1) to head (ef92aad).

Additional details and impacted files