Diffusion lammps cc6104aeaf32

Merge branch 'master' into kokkos_update
cc6104aeaf32
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Authored by Stan Moore <stamoor@sandia.gov> on Apr 25 2017, 22:11.

Description

Merge branch 'master' into kokkos_update

Details

Committed

Stan Moore <stamoor@sandia.gov>

Apr 25 2017, 22:11

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPS8910ec6e594c: Updating Kokkos lib to 2.03.00
rLAMMPS2f32fb7f8bda: patch 13Apr17

Branches

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Event Timeline

Stan Moore <stamoor@sandia.gov> committed rLAMMPScc6104aeaf32: Merge branch 'master' into kokkos_update (authored by Stan Moore <stamoor@sandia.gov>).Apr 25 2017, 22:11

Merged Changes

Commit	Author	Details	Committed
2f32fb7f8bda	Steve Plimpton	patch 13Apr17	Apr 13 2017
cb867ea91d24	sjplimp/GitHub	Merge pull request #450 from rbberger/python_destruction_fix	Apr 12 2017
961096f9df1e	Richard Berger	Prevent segfault if Python was never initialized	Apr 12 2017
4da8c1c4e2be	Steve Plimpton	patch 11Apr17	Apr 11 2017
49dd9449b875	Steve Plimpton	fix gcmc updates from Aidan, trimming of output for replica commands	Apr 11 2017
76fd9369720f	sjplimp/GitHub	Merge pull request #443 from Pakketeretet2/user-manifold-fix-every-keyword	Apr 11 2017
06cebb9fb4b8	sjplimp/GitHub	Merge pull request #445 from Pakketeretet2/extract_for_bond	Apr 11 2017
b9d844ca8dcb	sjplimp/GitHub	Merge pull request #444 from ohenrich/user-cgdna	Apr 11 2017
ccc9367de70f	sjplimp/GitHub	Merge pull request #442 from akohlmey/small-updates-and-bugfixes	Apr 11 2017
4c4a3fe5d12a	sjplimp/GitHub	Merge pull request #439 from rbberger/python_mixed_use_support	Apr 11 2017
84ea8a79e6b2	Axel Kohlmeyer	correct link for dispersion parameter how-to and reformat	Apr 11 2017
f19f5582209c	Stefan Paquay	Removed changed bond_harmonic from wrong position.	Apr 10 2017
1ad7d856feee	Stefan Paquay	Added forgotten #include string to bond_harmonic.cpp	Apr 10 2017
d6357420ae18	Axel Kohlmeyer	propagate global package installation bugfix to explicit package scripts	Apr 7 2017
62b9fa22b8ef	Axel Kohlmeyer	when computing only rotational temperature, we must not subtract the default n…	Apr 7 2017
1725832b6c8a	Axel Kohlmeyer	address issue where uninstalling an empty package will erase all code in src	Apr 6 2017
874944f2ecf4	Stefan Paquay	Made fix adapt support bond harmonic.	Apr 5 2017
497a5d88af88	Oliver Henrich	Merge branch 'master' into user-cgdna	Apr 4 2017
8993daaa31db	Oliver Henrich	Minor update to docu	Apr 4 2017
e190eb15f541	Axel Kohlmeyer/GitHub	remove debug printf	Apr 4 2017
b6bc33bac63b	Stefan Paquay	Merge branch 'user_manifold_fix' into user-manifold-fix-every-keyword	Apr 4 2017
03a6f5237f9a	Stefan Paquay	Made every keyword for user-manifold work as advertised.	Apr 4 2017
28e86917a05e	Stefan Paquay	Made fix adapt work with bond_harmonic.	Apr 4 2017
6f1bbd3cece0	Axel Kohlmeyer	protect fix ave/histo from segfaulting on non-existing computes, fixes or…	Apr 4 2017
ae56b9ad8915	Steve Plimpton	patch 31Mar17 for stable release	Mar 30 2017
4466d9fb4a47	sjplimp/GitHub	Merge pull request #440 from ohenrich/user-cgdna	Mar 30 2017
ac1aa9edea39	Oliver Henrich	Updated README	Mar 29 2017
c733204a700c	Oliver Henrich	Updated lammps.book and install script	Mar 29 2017
1544b51dcbfa	Richard Berger	Support mixed Python use by honoring Python GIL	Mar 29 2017
4b9d0a956632	Steve Plimpton	sync with SVN	Mar 28 2017
0637f2387518	Steve Plimpton	patch 28Mar17	Mar 28 2017

Changes (81)

				Path
	M			doc/src/Manual.txt
	M			doc/src/Section_commands.txt
	M			doc/src/Section_howto.txt
	M			doc/src/Section_packages.txt
	M			doc/src/Section_start.txt
	M			doc/src/bond_oxdna.txt
	M			doc/src/dihedral_charmm.txt
	M			doc/src/fix_adapt.txt
	M			doc/src/fix_gcmc.txt
	M			doc/src/kspace_modify.txt
	M			doc/src/lammps.book
	M			doc/src/pair_buck.txt
	M			doc/src/pair_charmm.txt
	M			examples/cmap/in.cmap
	A			examples/cmap/log.11Apr17.cmap.g++.1
	A			examples/cmap/log.11Apr17.cmap.g++.4
	D			examples/cmap/log.5Oct16.cmap.g++.1
	D			examples/cmap/log.5Oct16.cmap.g++.4
	A			lib/voronoi/Install.py
	M			lib/voronoi/README
	D			lib/voronoi/install.py
	M			src/ASPHERE/compute_temp_asphere.cpp
	M			src/COMPRESS/Install.sh
	M			src/Install.sh
	M			src/KIM/Install.sh
	M			src/KOKKOS/verlet_kokkos.cpp
	M			src/KOKKOS/verlet_kokkos.h
	M			src/MC/fix_gcmc.cpp
	M			src/MC/fix_gcmc.h
	M			src/MEAM/Install.sh
	M			src/MOLECULE/bond_harmonic.cpp
	M			src/MOLECULE/bond_harmonic.h
	V			src/MOLECULE/{dihedral_charmmfsh.cpp → dihedral_charmmfsw.cpp}
	V			src/MOLECULE/{dihedral_charmmfsh.h → dihedral_charmmfsw.h}
	V			src/MOLECULE/{dihedral_charmmfsw.cpp ← dihedral_charmmfsh.cpp}
	V			src/MOLECULE/{dihedral_charmmfsw.h ← dihedral_charmmfsh.h}
	M			src/MPIIO/Install.sh
	M			src/MSCG/Install.sh
	M			src/Makefile
	M			src/POEMS/Install.sh
	M			src/PYTHON/Install.sh
	M			src/PYTHON/python.cpp
	M			src/PYTHON/python.h
	M			src/REAX/Install.sh
	M			src/REPLICA/compute_event_displace.cpp
	M			src/REPLICA/compute_event_displace.h
	M			src/USER-ATC/Install.sh
	M			src/USER-AWPMD/Install.sh
	M			src/USER-CGDNA/Install.sh
	M			src/USER-CGDNA/README
	M			src/USER-COLVARS/Install.sh
	M			src/USER-H5MD/Install.sh
	M			src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp
	M			src/USER-MANIFOLD/fix_nve_manifold_rattle.h
	M			src/USER-MISC/Install.sh
	M			src/USER-MOLFILE/Install.sh
	M			src/USER-NC-DUMP/Install.sh
	M			src/USER-QMMM/Install.sh
	M			src/USER-QUIP/Install.sh
	M			src/USER-SMD/Install.sh
	M			src/USER-VTK/Install.sh
	M			src/VORONOI/Install.sh
	M			src/bond.cpp
	M			src/bond.h
	M			src/compute_temp_sphere.cpp
	M			src/finish.cpp
	M			src/fix_adapt.cpp
	M			src/fix_adapt.h
	M			src/fix_ave_histo.cpp
	M			src/fix_halt.cpp
	M			src/integrate.h
	M			src/min.cpp
	M			src/min.h
	M			src/output.cpp
	M			src/output.h
	M			src/respa.cpp
	M			src/respa.h
	M			src/verlet.cpp
	M			src/verlet.h
	M			src/version.h
	M			src/write_restart.cpp