- Oct 12, 2016
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Axel Kohlmeyer authored
Thanks to Giacomo Fiorin for figuring this out with NAMD/Colvars. This requires linking with -Xlinker -export-dynamic or equivalent, which is the default when using python-config to provide linker flags. We will fall back to loading the DSO in case the initial load fails.
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Steve Plimpton authored
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sjplimp authored
Collected small changes and bugfixes
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sjplimp authored
USER-DPD Bugfix: reset_dt() is not called when I thought it should be called.
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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
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Axel Kohlmeyer authored
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- Oct 11, 2016
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Steve Plimpton authored
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Tim Mattox authored
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Tim Mattox authored
Move the calculation of dtsqrt inside FixShardlow::initial_integrate()
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sjplimp authored
USER-DPD: Add atom_style compatibility checks in fix_eos_*.cpp files.
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sjplimp authored
USER-DPD: add support for using VV with DPD
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sjplimp authored
make no-lib should also remove MPIIO and USER-LB packages
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sjplimp authored
Improper virial bugfixes
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Steve Plimpton authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
this closes #56
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Axel Kohlmeyer authored
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- Oct 10, 2016
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sjplimp authored
txt2rst external link fix
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sjplimp authored
Add respa support to fix flow/gauss
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sjplimp authored
workaround for double free issue when using USER-COLVARS with with lammps python wrapper and python package
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sjplimp authored
Migrate changes from GRANULAR to USER-OMP
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Tim Mattox authored
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Axel Kohlmeyer authored
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Steven Strong authored
(cherry picked from commit eff14c74b039f074627c84a3f51a11b52c494d92)
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Steven Strong authored
(cherry picked from commit fd560889c3b9a81789a1900bef9a27aa79528cb3)
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Steven Strong authored
(cherry picked from commit d7dcbcfbd9c663ad7a1e1ce0989cd6347651fe21)
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Steven Strong authored
(cherry picked from commit 7fc4d46a417ff932546b34d6beacc47890823bd7)
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Steven Strong authored
(cherry picked from commit c829027e83971ad4739578cf413def88818ac40e)
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Steven Strong authored
(cherry picked from commit 8d9737b04df5158d512b7708023af0b154899fa9)
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Oct 08, 2016
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
workaround for double free issue when using USER-COLVARS with lammps code loaded as shared library into a standalone executable
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- Oct 07, 2016
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Tim Mattox authored
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Tim Mattox authored
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Tim Mattox authored
Includes documentation and examples. NOTE: VV requires very small timesteps under isoenergetic conditions. Consider using fix_shardlow instead, since this VV support is primarily for comparison purposes.
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