- Nov 06, 2018
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Oliver Henrich authored
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Oliver Henrich authored
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Axel Kohlmeyer authored
Bond/react custom group support
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Axel Kohlmeyer authored
update reference for SPIN package
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araven authored
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- Nov 05, 2018
- Nov 03, 2018
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jrgissing authored
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jrgissing authored
enables consistent syntax when using custom groups
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Axel Kohlmeyer authored
Update Colvars library to version 2018-10-16
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- Nov 02, 2018
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Giacomo Fiorin authored
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- Nov 01, 2018
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jrgissing authored
thanks to Sagar Patil for report
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jrgissing authored
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jrgissing authored
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Jacob Gissinger authored
rebase
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- Oct 31, 2018
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Axel Kohlmeyer authored
Various small fixes
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
Bond/react: update edges option
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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jrgissing authored
option to update all atomic charges, even when edge atoms are defined
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Jacob Gissinger authored
rebase
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- Oct 30, 2018
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Axel Kohlmeyer authored
Reduce namespace pollution for VORONOI package
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Axel Kohlmeyer authored
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- Oct 29, 2018
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Axel Kohlmeyer authored
Bug fix for merge sort by Jeffrey Frey
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
Updates to contributing guidelines
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- Oct 28, 2018
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Axel Kohlmeyer authored
rework some of the pull request instructions to be realigned with the recent changes in the workflow.
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Axel Kohlmeyer authored
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- Oct 25, 2018
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Axel Kohlmeyer authored
reorder operations in init() to fix a bug with compute chunk/atom del…
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Steve Plimpton authored
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- Oct 23, 2018
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Axel Kohlmeyer authored
Patch release 24 October 2018
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Axel Kohlmeyer authored
Bug fix for Kspace refactoring in USER-INTEL package
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Axel Kohlmeyer authored
More Documentation consistency improvements
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
Enable use of fix halt for minimizations
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Axel Kohlmeyer authored
Refactor kspace base class to have a settings() method
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Axel Kohlmeyer authored
Implement dummy classes for deprecated and removed styles
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