Diffusion lammps efaa4c67109f

new neigh_modify exclude option, other SNAP changes
efaa4c67109f
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Authored by Steve Plimpton <sjplimp@sandia.gov> on Mar 7 2017, 17:31.

Description

new neigh_modify exclude option, other SNAP changes

Details

Committed

Steve Plimpton <sjplimp@sandia.gov>

Mar 7 2017, 17:31

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPS49e83b434800: patch 21Feb17 sync with GHub

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Event Timeline

Steve Plimpton <sjplimp@sandia.gov> committed rLAMMPSefaa4c67109f: new neigh_modify exclude option, other SNAP changes (authored by Steve Plimpton <sjplimp@sandia.gov>).Mar 7 2017, 17:31

Diffusion mentioned this in rLAMMPS4c6779cb0d61: USER-DPD Kokkos: propagate the new neigh_modify options from efaa4c67.Oct 19 2017, 10:01

Changes (38)

				Path
	M			doc/src/compute_voronoi_atom.txt
	M			doc/src/neigh_modify.txt
	M			examples/USER/misc/gauss-diel/in.gauss-diel
	M			examples/USER/misc/gauss-diel/in.gauss-diel-cg
	M			examples/USER/misc/gauss-diel/in.gauss-diel-split
	M			examples/rigid/in.rigid.tnr
	P			examples/snap/Ta06A.snap Copied from potentials/Ta06A_pot.snap
	D			examples/snap/Ta06A_pot.snap
	V			examples/snap/{W.SNAP_HePair.pot → W_2940_2017_2_He_JW2013.snap}
	V			examples/snap/{W_2940_2017_2.pot.snap → W_2940_2017_2.snap}
	V			examples/snap/{W_2940_2017_2.snap ← W_2940_2017_2.pot.snap}
	M			examples/snap/W_2940_2017_2.snapcoeff
	M			examples/snap/W_2940_2017_2.snapparam
	V			examples/snap/{W_2940_2017_2_He_JW2013.snap ← W.SNAP_HePair.pot}
	M			examples/snap/in.snap.Ta06A
	M			examples/snap/in.snap.W.2940
	M			examples/snap/in.snap.hybrid.WSNAP.HePair
	V			potentials/{Ta06A.snap ← Ta06A_pot.snap}
	P			potentials/Ta06A_pot.snap Deleted after being copied to multiple locations: examples/snap/Ta06A.snap potentials/Ta06A.snap
	V			potentials/{W.SNAP_HePair.pot → W_2940_2017_2_He_JW2013.snap}
	V			potentials/{W_2940_2017_2.pot.snap → W_2940_2017_2.snap}
	V			potentials/{W_2940_2017_2.snap ← W_2940_2017_2.pot.snap}
	M			potentials/W_2940_2017_2.snapcoeff
	M			potentials/W_2940_2017_2.snapparam
	V			potentials/{W_2940_2017_2_He_JW2013.snap ← W.SNAP_HePair.pot}
	M			src/GPU/README
	M			src/KIM/README
	M			src/KOKKOS/neighbor_kokkos.cpp
	M			src/KOKKOS/neighbor_kokkos.h
	M			src/KOKKOS/npair_kokkos.cpp
	M			src/KOKKOS/npair_kokkos.h
	M			src/MAKE/OPTIONS/Makefile.omp
	M			src/RIGID/fix_shake.cpp
	M			src/SNAP/sna.cpp
	M			src/neighbor.cpp
	M			src/neighbor.h
	M			src/npair.cpp
	M			src/npair.h