- Jan 08, 2018
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Steve Plimpton authored
Documentation build updates
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Steve Plimpton authored
Fix python/move
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Steve Plimpton authored
USER-DPD: External State RNG
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Steve Plimpton authored
Update the Kokkos library in LAMMPS to v2.5.00
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- Jan 06, 2018
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Axel Kohlmeyer authored
This reverts commit 4a3a6b44. As it turns out, when using the LAMMPS python wrapper from inside code using the PYTHON package, the library symbols *are* needed. Thanks for Richard Berger (@rbberger) for pointing this out.
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Richard Berger authored
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- Dec 15, 2017
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Stan Moore authored
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Stan Moore authored
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Richard Berger authored
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Richard Berger authored
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Richard Berger authored
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Richard Berger authored
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Richard Berger authored
This reverts commit 4d915dba.
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- Dec 11, 2017
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Axel Kohlmeyer authored
This reverts commit 4a3a6b44. As it turns out, when using the LAMMPS python wrapper from inside code using the PYTHON package, the library symbols *are* needed. Thanks for Richard Berger (@rbberger) for pointing this out.
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- Dec 10, 2017
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Richard Berger authored
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- Dec 07, 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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Axel Kohlmeyer authored
the sphinxcontrib.image extension was broken with sphinx 16.x. however, sphinx 15.x breaks with newer version of the multiprocessor module. so we suspend the thumbnail processing and lift the lock to sphinx 15.x also, the number of parallel sphinx tasks is can be overridden with SPHINXEXTRA="-j #'. default is to try use all local CPU cores.
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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 06, 2017
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Richard Berger authored
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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 02, 2017
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Richard Berger authored
This is to avoid confusion to what LAMMPS considers to be an integrator like Verlet and RESPA.
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Giacomo Fiorin authored
Removing the loop over atoms by using NumPy array indexing allows to recover performance close to that of plain fix nve.
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Richard Berger authored
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