- Jul 03, 2017
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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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- Jun 30, 2017
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sjplimp authored
add single options to create_bonds command
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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sjplimp authored
Have extra/XXX/per/atom set by keyword to the read_data command
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Steve Plimpton authored
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sjplimp authored
Update to USER-MANIFOLD gaussian bump
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sjplimp authored
Fix Memory Leak in Kokkos NeighList
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sjplimp authored
Collected small bugfixes and updates
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sjplimp authored
Add folder .github containing administrative files for use with GitHub
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Axel Kohlmeyer authored
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- Jun 29, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
change the handling of reading "extra XXX per atom", so that the final choice is the larger of the value in the file and the keyword
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Andrew Jewett authored
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Andrew Jewett authored
Revert "added feature to write_data.cpp to support "extra bonds" (angles,dihedrals,impropers,special)." This reverts commit 0c2f7c74.
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- Jun 28, 2017
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Andrew Jewett authored
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Stefan Paquay authored
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Axel Kohlmeyer authored
rather than placing an if statement around every incidence of calling atom->check_mass() to ensure it is only called when per atom masses are not set, we place that check _inside_ Atom::check_mass(). This avoids unexpected error messages.
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- Jun 27, 2017
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Stefan Paquay 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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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
This is still a draft and in need of editing, proofreading and testing for formatting.
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- Jun 26, 2017
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Stan Moore authored
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Stan Moore authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Jun 24, 2017
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Steve Plimpton authored
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- Jun 23, 2017
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sjplimp authored
doc page clarifications for CHARMM energy and dipole pre-factors
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Steve Plimpton authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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sjplimp authored
use CHARMM energy conversion factor with new CHARMM pair styles
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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