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Commits : Listings

Analyzed about 1 year ago. based on code collected over 4 years ago.
Sep 24, 2019 — Sep 24, 2020
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Removed unnecessarily included file More... over 13 years ago
Some error check replaced with assert() More... over 13 years ago
Fixes More... over 13 years ago
Moved switching function to a separate object More... over 13 years ago
Temporary fix to allow atom requests to be update in "prepare()" More... over 13 years ago
Cleaning bugs More... over 13 years ago
added a reference to plumed-code.org More... over 13 years ago
Fixed a few bugs here and there More... over 13 years ago
Add a method to Tools to remove duplicates from a STL vector More... over 13 years ago
Fixed a few things. It is still to be tested. More... over 13 years ago
Scaling for Angstrom when reading PDB More... over 13 years ago
Renamed some source file More... over 13 years ago
Attempt to decrease dependencies More... over 13 years ago
Implemented ColvarRMSD More... over 13 years ago
Fix in numerical estimate of the virial More... over 13 years ago
Fix (missing const qualifier) More... over 13 years ago
Added prepare() to ColvarCoordination More... over 13 years ago
Added preparation step for Actions More... over 13 years ago
I have put the switchingFunc in Tools and added a comment in Coordination on how to call it. Would it be better to separate parsing tools and Math tools? More... over 13 years ago
Shortcut for parsing groups of atoms More... over 13 years ago
Fix (using AtomNumber now) More... over 13 years ago
Fixed compilation problem with non-MPI compilation More... over 13 years ago
Moved documentation in .h in doxygen format More... over 13 years ago
Cleaning and preparing ColvarCoordination. I think I only need to get the timestep and pbc and it's ready to be tested More... over 13 years ago
adding (slowly) the neighbor lists More... over 13 years ago
some reference & missing More... over 13 years ago
Arguments in class constructor are passed by const reference. I always make confusion here. It is possible to give default parameter also when having const references. More... over 13 years ago
using AtomNumber instead of unsigned More... over 13 years ago
Added initialize() methods to initialize the nl to the full list More... over 13 years ago
Redesigned NeighborList. Removed indexes_ which contained the list of all the atoms (or something like this) and made more general More... over 13 years ago