Colvars / colvars

Collective variables library for molecular simulation and analysis programs
http://colvars.github.io/
GNU Lesser General Public License v3.0
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Several improvements to colvar component classes #643

Closed giacomofiorin closed 3 months ago

giacomofiorin commented 6 months ago

This PR contains several improvements to colvar::cvc and its derived classes, including substantial simplification of the code and some fixes where the previous implementation was incorrect (distanceVec metrics) or less robust (period).

Other possible improvements that were out of scope to do:

giacomofiorin commented 3 months ago

@HanatoK Thanks for revising the PCV constructors!