- Oct 23, 2017
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Axel Kohlmeyer authored
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- Oct 21, 2017
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Steve Plimpton authored
update to doc pages for new coreshell pair styles
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Steve Plimpton authored
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Steve Plimpton authored
fix segfault bug in fix rigid/small found by regression testing
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- Oct 20, 2017
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Steve Plimpton authored
add coul/wolf/cs and born/coul/wolf/cs pair styles for CORESHELL package
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Axel Kohlmeyer authored
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Steve Plimpton authored
Allow rigid body generation from custom properties
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Steve Plimpton authored
Compute energy correctly for bond style gromos
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Steve Plimpton authored
Fix a Colvars error that was hidden by the previous segfault
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
add/correct code to define rigid bodies with atomstyle/atomfile variables and via custom per-atom properties
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Axel Kohlmeyer authored
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Giacomo Fiorin authored
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vishalkenchan authored
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- Oct 19, 2017
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Steve Plimpton authored
Import segfault fix in Colvars module
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Giacomo Fiorin authored
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vishalkenchan authored
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- Oct 18, 2017
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Steve Plimpton authored
cross ref fix deform and new fix nvt/uef in doc pages
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Steve Plimpton authored
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Steve Plimpton authored
small updates to recently added docs and rename of an example dir
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Steve Plimpton authored
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Steve Plimpton authored
USER-UEF package for extensional flow
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Steve Plimpton authored
fix rhok - biasing long-range order
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Steve Plimpton authored
Add gromos bond style
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Steve Plimpton authored
Avoid checking region when not specified
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Steve Plimpton authored
USER-DPD small updates
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Steve Plimpton authored
Bug fix for unexpected case where a Intel bonded style is specified but there are no types
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Steve Plimpton authored
refactoring of neighbor history
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Anders Hafreager authored
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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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Steve Plimpton authored
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- Oct 17, 2017
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Michael Brown authored
USER-INTEL: Bug fix for case where a bond/angle/dihedral/improper style is specified, but there are no bond/... types and therefore no allocation.
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- Oct 16, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Tim Mattox authored
Propogate the efaa4c67 changes to npair_ssa_kokkos from npair_kokkos that support the new neigh_modify exclude molecule/intra and /inter options. Note: npair_ssa_kokkos could inherit from npair_kokkos to avoid this kind of missed change. Unfortunately, inheritance from templated classes is both tricky and messy, and not worth the complexity in this case, IMHO.
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Axel Kohlmeyer authored
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Tim Mattox authored
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