BioD PNPI Git Repos - alexxy/gromacs.git/commit

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

author	Christian Wennberg <christian.wennberg@scilifelab.se>
	Fri, 13 Dec 2013 10:49:56 +0000 (11:49 +0100)
committer	Gerrit Code Review <gerrit@gerrit.gromacs.org>
	Fri, 28 Mar 2014 23:29:51 +0000 (00:29 +0100)
commit	b875ad12ad1f422819bf3fab71498ff68d3b8abe
tree	695cc2e3be3b3c0bf298722dda66cea5aa736561	tree \| snapshot
parent	d74225762821f9cf72f0218fdec61da130cf28a9	commit \| diff

New VDW kernel flavour for LJ-PME and updated group kernels

Group-scheme LJ-PME now calculates the same properties as Verlet-scheme

The previous group kernels implemented the non-bonded interactions
as described in J. Chem. Theory Comput., 2013, 9 (8), pp 3527–3537,
These are now updated to subtract the grid contribution in real
space, which corrects for any difference in the reciprocal-space
part from the use of approximate LJ parameters.

Group kernels + LJ-PME now supports modifiers

Added a new interaction type "LJEwald" which is used in the
group scheme for simulations with LJ-PME.

Change-Id: I4c9394381bf813082afe1fdbc168659de2412da6

156 files changed:

src/gromacs/gmxlib/names.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_generic.c		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/make_nb_kernel_avx_128_fma_double.py		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_avx_128_fma_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_avx_128_fma_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_avx_128_fma_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_avx_128_fma_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_avx_128_fma_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJEw_GeomP1P1_avx_128_fma_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJEw_GeomW3P1_avx_128_fma_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJEw_GeomW3W3_avx_128_fma_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJEw_GeomW4P1_avx_128_fma_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJEw_GeomW4W4_avx_128_fma_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_avx_128_fma_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJEw_GeomP1P1_avx_128_fma_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_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/make_nb_kernel_avx_128_fma_single.py		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_avx_128_fma_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_avx_128_fma_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_avx_128_fma_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_avx_128_fma_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_avx_128_fma_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJEw_GeomP1P1_avx_128_fma_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJEw_GeomW3P1_avx_128_fma_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJEw_GeomW3W3_avx_128_fma_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJEw_GeomW4P1_avx_128_fma_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJEw_GeomW4W4_avx_128_fma_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_avx_128_fma_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJEw_GeomP1P1_avx_128_fma_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_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/make_nb_kernel_avx_256_double.py		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_avx_256_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_avx_256_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_avx_256_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_avx_256_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_avx_256_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJEw_GeomP1P1_avx_256_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJEw_GeomW3P1_avx_256_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJEw_GeomW3W3_avx_256_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJEw_GeomW4P1_avx_256_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJEw_GeomW4W4_avx_256_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_avx_256_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJEw_GeomP1P1_avx_256_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_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/make_nb_kernel_avx_256_single.py		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_avx_256_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_avx_256_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_avx_256_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_avx_256_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_avx_256_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJEw_GeomP1P1_avx_256_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJEw_GeomW3P1_avx_256_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJEw_GeomW3W3_avx_256_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJEw_GeomW4P1_avx_256_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJEw_GeomW4W4_avx_256_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_avx_256_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJEw_GeomP1P1_avx_256_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_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/make_nb_kernel_c.py		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_c.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_c.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_c.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_c.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_c.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJEw_GeomP1P1_c.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJEw_GeomW3P1_c.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJEw_GeomW3W3_c.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJEw_GeomW4P1_c.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJEw_GeomW4W4_c.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_c.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJEw_GeomP1P1_c.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.c		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/make_nb_kernel_sparc64_hpc_ace_double.py		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_sparc64_hpc_ace_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_sparc64_hpc_ace_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_sparc64_hpc_ace_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_sparc64_hpc_ace_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_sparc64_hpc_ace_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecEw_VdwLJEw_GeomP1P1_sparc64_hpc_ace_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecEw_VdwLJEw_GeomW3P1_sparc64_hpc_ace_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecEw_VdwLJEw_GeomW3W3_sparc64_hpc_ace_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecEw_VdwLJEw_GeomW4P1_sparc64_hpc_ace_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecEw_VdwLJEw_GeomW4W4_sparc64_hpc_ace_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_sparc64_hpc_ace_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecNone_VdwLJEw_GeomP1P1_sparc64_hpc_ace_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_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/make_nb_kernel_sse2_double.py		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_sse2_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_sse2_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_sse2_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_sse2_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_sse2_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJEw_GeomP1P1_sse2_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJEw_GeomW3P1_sse2_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJEw_GeomW3W3_sse2_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJEw_GeomW4P1_sse2_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJEw_GeomW4W4_sse2_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_sse2_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJEw_GeomP1P1_sse2_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_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/make_nb_kernel_sse2_single.py		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_sse2_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_sse2_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_sse2_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_sse2_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_sse2_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJEw_GeomP1P1_sse2_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJEw_GeomW3P1_sse2_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJEw_GeomW3W3_sse2_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJEw_GeomW4P1_sse2_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJEw_GeomW4W4_sse2_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_sse2_single.c	[new file with mode: 0644]	blob
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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/make_nb_kernel_sse4_1_double.py		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_sse4_1_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_sse4_1_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_sse4_1_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_sse4_1_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_sse4_1_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJEw_GeomP1P1_sse4_1_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJEw_GeomW3P1_sse4_1_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJEw_GeomW3W3_sse4_1_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJEw_GeomW4P1_sse4_1_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJEw_GeomW4W4_sse4_1_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_sse4_1_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJEw_GeomP1P1_sse4_1_double.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_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/make_nb_kernel_sse4_1_single.py		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_sse4_1_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_sse4_1_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_sse4_1_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_sse4_1_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_sse4_1_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJEw_GeomP1P1_sse4_1_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJEw_GeomW3P1_sse4_1_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJEw_GeomW3W3_sse4_1_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJEw_GeomW4P1_sse4_1_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJEw_GeomW4W4_sse4_1_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_sse4_1_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJEw_GeomP1P1_sse4_1_single.c	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_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/gmxpreprocess/readir.c		diff \| blob \| history
src/gromacs/legacyheaders/types/enums.h		diff \| blob \| history
src/gromacs/legacyheaders/types/forcerec.h		diff \| blob \| history
src/gromacs/mdlib/forcerec.c		diff \| blob \| history

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