Fast LENS#131
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There is always this picture re-uploaded while we do some update; should we ignore that in the gitignore ?
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I wonder why is always that picture. Maybe there is some uncontrolled random number generation behind it?
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Might be that png have time stamps and it is remade each time. You can add it to gitignore now that the file already exists, it should not delete the file.
andrewtarzia
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Minor changes requested, approved
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Might be that png have time stamps and it is remade each time. You can add it to gitignore now that the file already exists, it should not delete the file.
SimoneMartino98
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All ok for me !
Huge step for LENS
Requested Reviewers: @SimoneMartino98
LENS computation is re-implemented from scratch, using a format that allows parallelization with numba to make it faster.
The parameters
centers,selection,respect_pbcandn_jobshave been added to all theTrjmethods for which they are relevant and that use some function of thelensmodule.Additionally, some general improvements in the pytest formatting have been done, and annoying warnings from MDAnalysis every time a universe is initialized have been silenced.