BioD PNPI Git Repos - alexxy/gromacs.git/commit - src/gromacs/mdlib/wnblist.cpp

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	David van der Spoel <spoel@xray.bmc.uu.se>
	Fri, 20 Nov 2015 15:10:10 +0000 (16:10 +0100)
committer	David van der Spoel <spoel@xray.bmc.uu.se>
	Fri, 20 Nov 2015 17:18:45 +0000 (18:18 +0100)
commit	e5a42060d55abdaab69eb66a05076ff6d920d84a
tree	21227fdca95a39b21fe118df767a4a990fd5fce0	tree \| snapshot
parent	f75bc658cf46c11638958e965178814914b74c95	commit \| diff

Merged legacyheaders/types/ns.h and nblist.h to mdtypes/nblist.h

Also parts moved out of forcerec.h.
In order to make this work some parts of the forcerec structure
had to be made pointers, and the same for nblist structures.

Part of #1415.

Change-Id: Iaaadd76ccca001a11371b9a0ad1b75a727732f00

67 files changed:

src/gromacs/domdec/domdec.cpp		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_free_energy.h		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_generic.h		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_generic_cg.h		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel.h		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_template_avx_128_fma_double.pre		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_single.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_single.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_single.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_template_avx_128_fma_single.pre		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_256_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_256_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_256_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_template_avx_256_double.pre		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_256_single.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_256_single.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_256_single.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_template_avx_256_single.pre		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwBham_GeomP1P1_c.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_c.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.h		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.h		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_template_c.pre		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sparc64_hpc_ace_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sparc64_hpc_ace_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_sparc64_hpc_ace_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_template_sparc64_hpc_ace_double.pre		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse2_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse2_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse2_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_template_sse2_double.pre		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_template_sse2_single.pre		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse4_1_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse4_1_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse4_1_double.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_template_sse4_1_double.pre		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse4_1_single.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse4_1_single.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse4_1_single.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_template_sse4_1_single.pre		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nonbonded.cpp		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nonbonded.h		diff \| blob \| history
src/gromacs/gmxpreprocess/grompp.cpp		diff \| blob \| history
src/gromacs/legacyheaders/types/forcerec.h		diff \| blob \| history
src/gromacs/legacyheaders/types/ns.h	[deleted file]	blob \| history
src/gromacs/listed-forces/pairs.cpp		diff \| blob \| history
src/gromacs/mdlib/force.cpp		diff \| blob \| history
src/gromacs/mdlib/forcerec.cpp		diff \| blob \| history
src/gromacs/mdlib/genborn.cpp		diff \| blob \| history
src/gromacs/mdlib/nbnxn_pairlist.h		diff \| blob \| history
src/gromacs/mdlib/ns.cpp		diff \| blob \| history
src/gromacs/mdlib/qmmm.cpp		diff \| blob \| history
src/gromacs/mdlib/sim_util.cpp		diff \| blob \| history
src/gromacs/mdlib/wall.cpp		diff \| blob \| history
src/gromacs/mdlib/wnblist.cpp		diff \| blob \| history
src/gromacs/mdtypes/nblist.h	[moved from src/gromacs/legacyheaders/types/nblist.h with 53% similarity]	diff \| blob \| history
src/gromacs/tables/forcetable.cpp		diff \| blob \| history
src/gromacs/tables/forcetable.h		diff \| blob \| history

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