Merge branch 'openmp-step5' into openmp-master
4c872b77b111
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 18 2011, 14:26.

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Merge branch 'openmp-step5' into openmp-master

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 18 2011, 14:26

Pushed

junge

Oct 6 2016, 16:49

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS4c872b77b111: Merge branch 'openmp-step5' into openmp-master (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 18 2011, 14:26

Commit	Author	Details	Committed
f1b4f88d276c	Axel Kohlmeyer	support suffix handling for kspace styles	Oct 18 2011
83b1e4d5f0b3	Axel Kohlmeyer	print format bugfix	Oct 18 2011
15eab23d8ebb	Axel Kohlmeyer	adjust package management files for kspace proxy system	Oct 18 2011
a93cd170aa85	Axel Kohlmeyer	add "proxy" long+pppm pair style for running kspace as a single thread with pair	Oct 18 2011
30e2516c3909	Axel Kohlmeyer	bugfix for hybrid pair styles	Oct 18 2011
72f00f75bbbe	Axel Kohlmeyer	allocate only aligned memory and use memset	Oct 17 2011
09a1cae618e3	Axel Kohlmeyer	add a pppm/omp version with limited parallel efficiency.	Oct 17 2011
a75242b07232	Axel Kohlmeyer	pppm optimization (or not? doesn't harm so we keep it).	Oct 17 2011
d25353a56b39	Axel Kohlmeyer	bug fix for angle pressure and energy accounting	Oct 17 2011
892ae7b30bb5	Axel Kohlmeyer	register the individual per-atom energy and virial arrays separately	Oct 17 2011
824031fdaf17	Axel Kohlmeyer	added basic openmp support for angles and bonds	Oct 17 2011

				Path
	M			src/KSPACE/pppm.cpp
	M			src/MOLECULE/angle_charmm.h
	M			src/MOLECULE/bond_harmonic.h
	M			src/USER-OMP/Install.sh
	M			src/USER-OMP/Package.sh
	A			src/USER-OMP/angle_charmm_omp.cpp
	P			src/USER-OMP/angle_charmm_omp.h Copied from src/USER-OMP/dihedral_charmm_omp.h
	A			src/USER-OMP/bond_harmonic_omp.cpp
	P			src/USER-OMP/bond_harmonic_omp.h Copied from src/USER-OMP/dihedral_charmm_omp.h
	P			src/USER-OMP/pair_lj_charmm_coul_pppm_omp.cpp Copied from src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
	P			src/USER-OMP/pair_lj_charmm_coul_pppm_omp.h Copied from src/USER-OMP/pair_lj_charmm_coul_long_omp.h
	A			src/USER-OMP/pppm_omp.cpp
	P			src/USER-OMP/pppm_omp.h Copied from src/KSPACE/pppm_cg.h
	P			src/USER-OMP/pppm_proxy.cpp Copied from src/compute_com.cpp
	P			src/USER-OMP/pppm_proxy.h Copied from src/KSPACE/pppm_tip4p.h
	M			src/USER-OMP/thr_data.cpp
	M			src/USER-OMP/thr_data.h
	M			src/USER-OMP/thr_omp.cpp
	M			src/USER-OMP/thr_omp.h
	M			src/angle.h
	M			src/bond.h
	M			src/force.cpp
	M			src/force.h
	M			src/improper.h
	M			src/input.cpp
	M			src/kspace.h
	M			src/memory.cpp
	M			src/pair_hybrid.cpp