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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
Showing page 402 of 405
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Contributor
Files Modified
Lines Added
Lines Removed
Code Location
Date
Removed unnecessarily included file
Giovanni Bussi
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over 13 years ago
Some error check replaced with assert()
Giovanni Bussi
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over 13 years ago
Fixes
Giovanni Bussi
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over 13 years ago
Moved switching function to a separate object
Giovanni Bussi
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over 13 years ago
Temporary fix to allow atom requests to be update in "prepare()"
Giovanni Bussi
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over 13 years ago
Cleaning bugs
Max Bonomi
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over 13 years ago
added a reference to plumed-code.org
Max Bonomi
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over 13 years ago
Fixed a few bugs here and there
Max Bonomi
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over 13 years ago
Add a method to Tools to remove duplicates from a STL vector
Max Bonomi
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over 13 years ago
Fixed a few things. It is still to be tested.
Max Bonomi
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over 13 years ago
Scaling for Angstrom when reading PDB
Giovanni Bussi
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over 13 years ago
Renamed some source file
Giovanni Bussi
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over 13 years ago
Attempt to decrease dependencies
Giovanni Bussi
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over 13 years ago
Implemented ColvarRMSD
Giovanni Bussi
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over 13 years ago
Fix in numerical estimate of the virial
Giovanni Bussi
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over 13 years ago
Fix (missing const qualifier)
Giovanni Bussi
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over 13 years ago
Added prepare() to ColvarCoordination
Giovanni Bussi
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over 13 years ago
Added preparation step for Actions
Giovanni Bussi
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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?
Carlo Camilloni
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over 13 years ago
Shortcut for parsing groups of atoms
Giovanni Bussi
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over 13 years ago
Fix (using AtomNumber now)
Giovanni Bussi
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over 13 years ago
Fixed compilation problem with non-MPI compilation
Giovanni Bussi
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over 13 years ago
Moved documentation in .h in doxygen format
Max Bonomi
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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
Max Bonomi
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over 13 years ago
adding (slowly) the neighbor lists
Max Bonomi
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over 13 years ago
some reference & missing
Max Bonomi
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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.
Max Bonomi
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over 13 years ago
using AtomNumber instead of unsigned
Max Bonomi
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over 13 years ago
Added initialize() methods to initialize the nl to the full list
Max Bonomi
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over 13 years ago
Redesigned NeighborList. Removed indexes_ which contained the list of all the atoms (or something like this) and made more general
Max Bonomi
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over 13 years ago
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