- Oct 02, 2018
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Axel Kohlmeyer authored
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- Sep 04, 2018
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
integrate USER-MOP package into build and documentat system. apply latest LAMMPS programming style conventions
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- Aug 09, 2018
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Axel Kohlmeyer authored
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- Jun 27, 2018
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Axel Kohlmeyer authored
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- Jun 20, 2018
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Axel Kohlmeyer authored
- remove feature to record the compilation time and date - remove 'echo -n' based "progress bar" - update output format for "lmp_machine -h" to be consistent with help output - move generation of lmpinstalledpkgs.h to be a separate target depending on all sources and headers in src folder. this way it is only regenerated when files are modified or packages installed
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- May 11, 2018
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Axel Kohlmeyer authored
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- May 08, 2018
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Axel Kohlmeyer authored
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- May 07, 2018
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Axel Kohlmeyer authored
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- Mar 22, 2018
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Axel Kohlmeyer authored
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- Feb 18, 2018
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Axel Kohlmeyer authored
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- Feb 06, 2018
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Axel Kohlmeyer authored
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- Feb 02, 2018
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Axel Kohlmeyer authored
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- Jan 10, 2018
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Stan Moore authored
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- Dec 15, 2017
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Richard Berger authored
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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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- 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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Richard Berger authored
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- Dec 01, 2017
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Stan Moore authored
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- Nov 28, 2017
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Axel Kohlmeyer authored
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- Nov 03, 2017
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Tim Mattox authored
This was accomplished with several key changes: 1) Modified fix_shardlow's control flow to match fix_shardlow_kokkos so that random numbers are pulled fromn the RNGs in exactly the same order. 2) Created random_external_state.h, a simplified version of the Kokkos random number generator that keeps its state variables external to itself. Thus it can be used both with and without Kokkos enabled, as long as the caller stores and passes in the required state variable. 3) Replaced all references to random_mars.h and Kokkos_Random.hpp code in the fix_shardlow* files with calls to the random_external_state.h code, guaranteeing that fix_shardlow* is using an identical RNG in all cases. Result: most (56 of 61) of our internal tests now generate the same results with kokkos turned on or off. Four cases still differ due to what appear to be vectorization caused rounding differences, and the fifth case appears to be something triggered by the kokkos "atom_style hybrid" code.
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- Oct 26, 2017
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Stefan Paquay authored
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- Oct 16, 2017
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Axel Kohlmeyer authored
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- Oct 03, 2017
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Axel Kohlmeyer authored
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- Oct 02, 2017
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Axel Kohlmeyer authored
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- Sep 26, 2017
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Axel Kohlmeyer authored
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- Sep 12, 2017
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Axel Kohlmeyer authored
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- Aug 31, 2017
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Axel Kohlmeyer authored
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- Aug 23, 2017
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Axel Kohlmeyer authored
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- Aug 19, 2017
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Axel Kohlmeyer authored
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- Aug 04, 2017
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Axel Kohlmeyer authored
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- Jul 12, 2017
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Axel Kohlmeyer authored
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- Jun 12, 2017
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Axel Kohlmeyer authored
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- Jun 06, 2017
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Axel Kohlmeyer authored
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- May 31, 2017
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Axel Kohlmeyer authored
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- May 16, 2017
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Axel Kohlmeyer authored
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- May 15, 2017
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Richard Berger authored
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