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some updates to the GPU package #926
Trung Nguyen (Northwestern)
The changes should not affect other parts of LAMMPS.
The new pair styles and their gpu version were tested by minimal input decks derived from examples/dipole.
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@junghans we also have other problems with CMake. I tested yesterday on Ubuntu, CUDA 9 and Volta and
@junghans looks like this is only an issue with cmake 3.5.1 on Ubuntu 16.04 LTS. Installing cmake 3.11.2 fixes the issue. It wasn't expanding the conditional compilation options passed to
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@ndtrung81 can you please apply some cosmetic changes for consistency with the rest of LAMMPS that we also applied to the GPU library:
and a few more. please note, that some of these changes are c++-11 only (e.g.
@akohlmey the only place I see
So I'm assigning this to @sjplimp to be merged.