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Commits on Mar 14, 2023

• Bug fix: AlignedVirtualTrajectory did not properly align to the requested subset when using a reference structure

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• Verify that the same number of atoms are selected from both groups when superimposing

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Commits on Feb 8, 2023

• Merge branch 'main' of github.com:GrossfieldLab/loos

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Commits on Feb 6, 2023

• Bumping version

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• Switched to latest from numpy github

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Commits on Dec 27, 2022

• Fix for ninja not recognizing changes in swig dependencies

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Commits on Nov 11, 2022

• More specific...

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• Adding note about _how_ to update

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• Added notes about official 4.0+ release(s)

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• Output is now space-delimited rather than a weird mix of spaces and fixed widths

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• Bumped version to 4.0.3

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• Requiring OpenBLAS rather than any blas

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Commits on Oct 28, 2022

• Changes to RPATH handling for OSX

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Commits on Oct 24, 2022

• Bug fix: correctly catch loos::StopIteration exceptions for AtomicGroupIterator

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Commits on Oct 14, 2022

• Loosening requirement on libnetcdf version to be less than 4.9

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Commits on Oct 13, 2022

• Fixed libnetcdf version to 4.8.1 (4.9.0 appears to have a broken cmake config on macs)

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• Merged cmake-py branch (squashed)

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Commits on Nov 22, 2021

• Updating ChangeLog to reflect merge from Louis [ci skip]

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Commits on Aug 9, 2021

• Will now write out the subset used for the calculation

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Commits on May 10, 2021

• Merge branch 'main' of github.com:GrossfieldLab/loos into main

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• Added variable number of spaces when parsing constraints, and tightened up some debugging output.

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Commits on Oct 2, 2020

• Fixes for gromacs 2020.3

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Commits on Jul 7, 2020

• Bug fix when using splitv that generated incorrect output; found by lsmith

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Commits on Jul 22, 2019

• Fix for aberrant case from AG

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Commits on Feb 27, 2019

• Merge branch 'master' of github.com:GrossfieldLab/loos

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• Bug fix for MacOS when not in a conda env

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Commits on Oct 15, 2018

• Merge branch 'master' of github.com:GrossfieldLab/loos

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• Renamed timer.hpp to loos_timer.hpp to avoid filename conflicts

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Commits on Aug 7, 2018

• Bug fix. Multitraj iterator had sync issues with Trajectory class resulting in skipped first frame and duplicated final frame.

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Commits on May 17, 2018

• Merge branch 'master' of github.com:GrossfieldLab/loos

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• Atomid's and resid's in PDFs now accept hybrid36 encoding

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Commits on May 8, 2018

• updatery

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• Zealous reimaging mode requires a centering selection. Fixed

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• Removal of some extra whitespaces

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• Escaped closing brace in readCoords()

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