Commits

Commits on Aug 3, 2014

Fixed incorrect forces in linear bias and ALB and update documentation
whitead
committed

Commits on Jul 14, 2014

Fixed bug in harmonic restart and made sure old restarts are compatible
whitead
committed

Commits on Jul 2, 2014

Ammended previous merge to more closely follow upstream
whitead
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Merge branch 'master' of github.com:colvars/colvars
whitead
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Updated documentation and renamed some parameters to be consistent with other colvars methods
whitead
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Added support for restarts
whitead
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Moved coordination number changes to separate branch from ALB
whitead
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Added a cutoff to colvars coordination number
whitead
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I've added the ability to calcualte moments of coordination number. This has only been implemented for the non-vector cutoff case
whitead
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Chagned the dynamic coupling range to be disabled by default. In can lead to divergance, so it doesn't make sense to leave it on by default. I've also updated the gradient based on shuffling around…
whitead
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Added a hack to restrict the length of distances evaluated. I should actually treat this in the lammps module so that neighbor lists can be utilized
whitead
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Max coupling range can now optionally update as the simulation
whitead
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Switched to the more stable and accurate online variance calculation.
whitead
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Some varaible name changes to be more succinct and consistent. Added new max coupling rate change that will temper some of the aggresive first steps in the program. May be initially set or are gues…
whitead
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Added support for multidimensional centers and tweaked the running lipschitze estimate.
whitead
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Added an equilibration period, changed variable names for coupling
whitead
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Refactored colvarbias_harmonic to colvarbias_restraint and colvarbias_harmonic and added
whitead
committed