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Created with Raphaël 2.2.09Aug876532131Jul3029282726252423222120191817161513121312111096543230Jun2928272625242221201918171615161514131298654131May3029282625242322212019181716151413121110update .gitignoreMerge pull request #1043 from lammps/compute-cluster-atomchange zero-size shrink box to original boxrename Kokkos::gpu_direct to Kokkos::gpu_direct_flaguse '-pk kokkos gpu/direct on/off' consistently in comments and docsReplace functions which were deprecated since CUDA 5Small tweak to GPU direct not available warningGPU Package: Use __shfl_xor_sync starting with CUDA 9Fix typo in gridcomm_kokkosChange defaults for GPU-direct to use comm hostRemove hardcoded GPU-direct in KOKKOS packageadded examples for P3M with ScaFaCoSupdated log filesupdated to support ScaFaCoS 1.0.1removed deprecated log files (will be replaced with more current ones)Merge branch 'master' of https://www.github.com/lammps/lammps into port-enforce2d-kokkosMerge remote-tracking branch 'origin/master' into ScaFaCoSfixed merge conflictbug fix for compute cluster/atom when computing values used to update a dynamic groupMerge pull request #1038 from stanmoore1/issue-1037Merge pull request #1041 from rbberger/fix_gpu_segfaultMerge pull request #1040 from lammps/natomMerge pull request #994 from danicholson/user-uef-image-flagsadd some notes about GPU-direct support requirements to the manualadd wrapper for MPI implementation specific GPU-direct detectionmake communication settings consistent, in case the package command is used multiple times.reword misleading message about GPU usageAdd extra check for OpenCL timersenable more correct natoms computation when atoms are lostcleaned documentation, added p3m entry for allowed tolerance typeadded support for p3m, added check for compatible tolerance / method combinations (should they not be caught by ScaFaCoS itself)fixed example so that P3M also works, changed tolerance type in the FMM examplefixed missing REQUIRED and introduced the compilation of internal sub-libraries (FFTW,PFFT,PNFFT)Merge branch 'master' into reax_dupAdd contribute method to pair_table_kokkosbug fixes: ScaFaCoS returns virial as 9-value array, requires copies to Lammps 6-value array; fixed error in compuation of per-atom energy calculationupdated URL for tarball downloadCMake: download ScaFaCoS, compile and link it - required resorting, as Fortran MPI is requiredmore changes to ATM source and doc fileWorkaround for issue 1037