Diffusion lammps 7f9a331c7355

bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
7f9a331c7355
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Authored by Steve Plimpton <sjplimp@sandia.gov> on May 16 2017, 23:51.

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Description

bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue

Details

Committed

Steve Plimpton <sjplimp@sandia.gov>

May 16 2017, 23:51

Pushed

Oct 19 2017, 09:53

Parents

rLAMMPS06c151421c4f: Merge pull request #478 from akohlmey/add-python-source-cmd

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Reverted By

rLAMMPS378989e06529: Merge pull request #27 from timattox/USER-DPD_kokkos_update

Event Timeline

Steve Plimpton <sjplimp@sandia.gov> committed rLAMMPS7f9a331c7355: bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue (authored by Steve Plimpton <sjplimp@sandia.gov>).May 16 2017, 23:51

Diffusion added a reverting change: rLAMMPS378989e06529: Merge pull request #27 from timattox/USER-DPD_kokkos_update.Oct 19 2017, 10:00

Diffusion mentioned this in rLAMMPS378989e06529: Merge pull request #27 from timattox/USER-DPD_kokkos_update.

Changes (47)

				Path
	M			doc/src/pair_yukawa_colloid.txt
	M			src/QEQ/fix_qeq.cpp
	M			src/USER-DPD/nbin_ssa.cpp
	M			src/USER-DPD/npair_half_bin_newton_ssa.cpp
	M			src/USER-OMP/npair_full_bin_ghost_omp.cpp
	M			src/USER-OMP/npair_full_bin_omp.cpp
	M			src/USER-OMP/npair_full_multi_omp.cpp
	M			src/USER-OMP/npair_half_bin_newtoff_ghost_omp.cpp
	M			src/USER-OMP/npair_half_bin_newtoff_omp.cpp
	M			src/USER-OMP/npair_half_bin_newton_omp.cpp
	M			src/USER-OMP/npair_half_bin_newton_tri_omp.cpp
	M			src/USER-OMP/npair_half_multi_newtoff_omp.cpp
	M			src/USER-OMP/npair_half_multi_newton_omp.cpp
	M			src/USER-OMP/npair_half_multi_newton_tri_omp.cpp
	M			src/USER-OMP/npair_half_respa_bin_newtoff_omp.cpp
	M			src/USER-OMP/npair_half_respa_bin_newton_omp.cpp
	M			src/USER-OMP/npair_half_respa_bin_newton_tri_omp.cpp
	M			src/USER-OMP/npair_half_size_bin_newtoff_omp.cpp
	M			src/USER-OMP/npair_half_size_bin_newton_omp.cpp
	M			src/USER-OMP/npair_half_size_bin_newton_tri_omp.cpp
	M			src/USER-REAXC/fix_qeq_reax.cpp
	M			src/USER-REAXC/fix_reaxc_species.cpp
	M			src/nbin.cpp
	M			src/nbin.h
	M			src/nbin_standard.cpp
	M			src/neigh_request.cpp
	M			src/neighbor.cpp
	M			src/npair.cpp
	M			src/npair.h
	M			src/npair_full_bin.cpp
	M			src/npair_full_bin_atomonly.cpp
	M			src/npair_full_bin_ghost.cpp
	M			src/npair_full_multi.cpp
	M			src/npair_half_bin_atomonly_newton.cpp
	M			src/npair_half_bin_newtoff.cpp
	M			src/npair_half_bin_newtoff_ghost.cpp
	M			src/npair_half_bin_newton.cpp
	M			src/npair_half_bin_newton_tri.cpp
	M			src/npair_half_multi_newtoff.cpp
	M			src/npair_half_multi_newton.cpp
	M			src/npair_half_multi_newton_tri.cpp
	M			src/npair_half_respa_bin_newtoff.cpp
	M			src/npair_half_respa_bin_newton.cpp
	M			src/npair_half_respa_bin_newton_tri.cpp
	M			src/npair_half_size_bin_newtoff.cpp
	M			src/npair_half_size_bin_newton.cpp
	M			src/npair_half_size_bin_newton_tri.cpp

rLAMMPS7f9a331c7355

doc/src/pair_yukawa_colloid.txt

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src/QEQ/fix_qeq.cpp

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src/USER-DPD/nbin_ssa.cpp

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src/USER-DPD/npair_half_bin_newton_ssa.cpp

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src/USER-OMP/npair_full_bin_ghost_omp.cpp

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src/USER-OMP/npair_full_bin_omp.cpp

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src/USER-OMP/npair_full_multi_omp.cpp

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src/USER-OMP/npair_half_bin_newtoff_ghost_omp.cpp

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src/USER-OMP/npair_half_bin_newtoff_omp.cpp

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src/USER-OMP/npair_half_bin_newton_omp.cpp

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src/USER-OMP/npair_half_bin_newton_tri_omp.cpp

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src/USER-OMP/npair_half_multi_newtoff_omp.cpp

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src/USER-OMP/npair_half_multi_newton_omp.cpp

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src/USER-OMP/npair_half_multi_newton_tri_omp.cpp

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src/USER-OMP/npair_half_respa_bin_newtoff_omp.cpp

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src/USER-OMP/npair_half_respa_bin_newton_omp.cpp

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src/USER-OMP/npair_half_respa_bin_newton_tri_omp.cpp

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src/USER-OMP/npair_half_size_bin_newtoff_omp.cpp

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src/USER-OMP/npair_half_size_bin_newton_omp.cpp

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src/USER-OMP/npair_half_size_bin_newton_tri_omp.cpp

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src/USER-REAXC/fix_qeq_reax.cpp

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src/USER-REAXC/fix_reaxc_species.cpp

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src/nbin.cpp

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src/nbin.h

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src/nbin_standard.cpp

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src/neigh_request.cpp

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src/neighbor.cpp

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src/npair.cpp

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src/npair.h

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src/npair_full_bin.cpp

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src/npair_full_bin_atomonly.cpp

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src/npair_full_bin_ghost.cpp

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src/npair_full_multi.cpp

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src/npair_half_bin_atomonly_newton.cpp

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src/npair_half_bin_newtoff.cpp

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src/npair_half_bin_newtoff_ghost.cpp

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src/npair_half_bin_newton.cpp

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src/npair_half_bin_newton_tri.cpp

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src/npair_half_multi_newtoff.cpp

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src/npair_half_multi_newton.cpp

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src/npair_half_multi_newton_tri.cpp

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src/npair_half_respa_bin_newtoff.cpp

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src/npair_half_respa_bin_newton.cpp

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src/npair_half_respa_bin_newton_tri.cpp

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src/npair_half_size_bin_newtoff.cpp

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src/npair_half_size_bin_newton.cpp

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src/npair_half_size_bin_newton_tri.cpp

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