- Jan 16, 2018
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Axel Kohlmeyer authored
This should print a warning when 2x the bonded interaction cutoff list larger then other cutoffs, as was the setting before the performance optimization with the change in https://github.com/lammps/lammps/pull/758/commits/269007540569589aa7c81d9ba1a4b93d34b8c95d
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- Jan 12, 2018
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mkanski authored
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- Jan 10, 2018
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mkanski authored
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- Jan 09, 2018
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mkanski authored
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- Jan 08, 2018
- Dec 07, 2017
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Steve Plimpton authored
Fix compile error in pair_yukawa_kokkos
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Stan Moore authored
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Stan Moore authored
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Steve Plimpton authored
PyLammps bugfix to support custom thermo output with vector element addressing
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Steve Plimpton authored
Reduce Kokkos compile dependencies
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Steve Plimpton authored
Improve ReaxFF
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Steve Plimpton authored
Collected bugfixes and small updates for next patch
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Steve Plimpton authored
Add ExTeP pair style
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Steve Plimpton authored
Added a KOKKOS-enabled Yukawa pair style.
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Steve Plimpton authored
new example scripts for fix gcmc
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- Dec 05, 2017
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Stan Moore authored
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Jaap Kroes authored
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- Dec 04, 2017
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Stefan Paquay authored
Add pair_yukawa_kokkos to Install.sh and minor cleanup. These changes look fine. Sorry for the tabs, I must have forgotten about those.
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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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- Dec 01, 2017
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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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Axel Kohlmeyer authored
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Stan Moore authored
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Stan Moore authored
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Stan Moore authored
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Stan Moore authored
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Stan Moore authored
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Stan Moore authored
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Stan Moore authored
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Stan Moore authored
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- Nov 30, 2017
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Stan Moore authored
Improve performance of pair_reaxc, this change is safe because the non-bonded i-loop doesn't include ghost atoms; this optimization is already included in the USER-OMP version
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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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- Nov 29, 2017
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Richard Berger authored
PyLammps now supports thermo_style entries such as c_msd[4]
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